Matches any text strings used to describe a molecule.
Systematic Name, Synonym, Trade Name, Registry Number, SMILES, InChI or CSID

Systematic names 1,2-dihydroxybenzene
Synonyms AIBN
Trade names Aspirin
Registry numbers 7732-18-5
SMILES O=C(OCC)C
InChl InChI=1/CH4/h1H4
Search Hits Limit:
Single/Multi-component
Isotopically Labeled
Additional Filters

Found 5 results

Search term: JNNCGBMBOYDZEW (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4943810

Double-bond stereo

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C29H32N2O7/c32-21-15-16-22(33)25(21)31-24(35)13-6-1-2-9-17-29(37)18-20(26(36)27-28(29)38-27)30-23(34)14-8-7-12-19-10-4-3-5-11-19/h1-2,6-9,12-14,17-19,27-28,32,37H,3-5,10-11,15-16H2,(H,30,34)(H,31,35)/b2-1+,12-7+,13-6+,14-8+,17-9+
C29H32N2O7520.57367500
9181026

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C29H32N2O7/c32-21-15-16-22(33)25(21)31-24(35)13-6-1-2-9-17-29(37)18-20(26(36)27-28(29)38-27)30-23(34)14-8-7-12-19-10-4-3-5-11-19/h1-2,6-9,12-14,17-19,27-28,32,37H,3-5,10-11,15-16H2,(H,30,34)(H,31,35)/b2-1+,12-7+,13-6+,14-8+,17-9+/t27-,28-,29+/m0/s1
C29H32N2O7520.573666015
59701402

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C29H32N2O7/c32-21-15-16-22(33)25(21)31-24(35)13-6-1-2-9-17-29(37)18-20(26(36)27-28(29)38-27)30-23(34)14-8-7-12-19-10-4-3-5-11-19/h1-2,6-9,12-14,17-19,27-28,32,37H,3-5,10-11,15-16H2,(H,30,34)(H,31,35)/b2-1+,12-7+,13-6+,14-8+,17-9+/t27-,28+,29-/m1/s1
C29H32N2O7520.57362100
8047040

Double-bond stereo

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C29H32N2O7/c32-21-15-16-22(33)25(21)31-24(35)13-6-1-2-9-17-29(37)18-20(26(36)27-28(29)38-27)30-23(34)14-8-7-12-19-10-4-3-5-11-19/h1-2,6-9,12-14,17-19,27-28,32,37H,3-5,10-11,15-16H2,(H,30,34)(H,31,35)/b2-1+,12-7+,13-6+,14-8+,17-9-
C29H32N2O7520.57362100
8522051

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C29H32N2O7/c32-21-15-16-22(33)25(21)31-24(35)13-6-1-2-9-17-29(37)18-20(26(36)27-28(29)38-27)30-23(34)14-8-7-12-19-10-4-3-5-11-19/h1-2,6-9,12-14,17-19,27-28,32,37H,3-5,10-11,15-16H2,(H,30,34)(H,31,35)/b2-1+,12-7+,13-6+,14-8+,17-9+/t27-,28-,29-/m0/s1
C29H32N2O7520.57362100

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