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 4 results

Search term: ZIYCBQPVLHOKPQ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4585405

Double-bond stereo

0 of 11 defined stereocentres - 0/11 defined
InChI=1/C29H36O9/c1-16-11-22(31)32-14-28-10-9-26(3)24(38-26)25(28)37-20-13-19(27(28,4)29(20)15-33-29)36-21(30)8-6-5-7-18-17(2)34-23(12-16)35-18/h5-8,11,17-20,23-25H,9-10,12-15H2,1-4H3/b7-5-,8-6-,16-11-
C29H36O9528.59074400
383734

Double-bond stereo

0 of 11 defined stereocentres - 0/11 defined
InChI=1/C29H36O9/c1-16-11-22(31)32-14-28-10-9-26(3)24(38-26)25(28)37-20-13-19(27(28,4)29(20)15-33-29)36-21(30)8-6-5-7-18-17(2)34-23(12-16)35-18/h5-8,11,17-20,23-25H,9-10,12-15H2,1-4H3
C29H36O9528.59072100
24675005

Double-bond stereo

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C29H36O9/c1-16-11-22(31)32-14-28-10-9-26(3)24(38-26)25(28)37-20-13-19(27(28,4)29(20)15-33-29)36-21(30)8-6-5-7-18-17(2)34-23(12-16)35-18/h5-8,11,17-20,23-25H,9-10,12-15H2,1-4H3/b7-5+,8-6-,16-11+/t17-,18-,19-,20-,23-,24+,25-,26+,27-,28-,29+/m1/s1
C29H36O9528.59072200
23171064

Double-bond stereo

7 of 11 defined stereocentres - 7/11 defined
InChI=1/C29H36O9/c1-16-11-22(31)32-14-28-10-9-26(3)24(38-26)25(28)37-20-13-19(27(28,4)29(20)15-33-29)36-21(30)8-6-5-7-18-17(2)34-23(12-16)35-18/h5-8,11,17-20,23-25H,9-10,12-15H2,1-4H3/b7-5+,8-6-,16-11+/t17?,18?,19-,20-,23?,24+,25-,26-,27-,28-,29?/m1/s1
C29H36O9528.59071100

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