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: SABCYQXMRZXWBL (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2133924

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C29H27NO4/c1-2-3-16-34-19-14-12-18(13-15-19)30-27(32)25-24-20-8-4-6-10-22(20)29(17-31,26(25)28(30)33)23-11-7-5-9-21(23)24/h4-15,24-26,31H,2-3,16-17H2,1H3
C29H27NO4453.52898171500
1687366

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C29H27NO4/c1-2-3-16-34-19-14-12-18(13-15-19)30-27(32)25-24-20-8-4-6-10-22(20)29(17-31,26(25)28(30)33)23-11-7-5-9-21(23)24/h4-15,24-26,31H,2-3,16-17H2,1H3/t24?,25-,26+,29?/m0/s1
C29H27NO4453.5292100
1687367

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C29H27NO4/c1-2-3-16-34-19-14-12-18(13-15-19)30-27(32)25-24-20-8-4-6-10-22(20)29(17-31,26(25)28(30)33)23-11-7-5-9-21(23)24/h4-15,24-26,31H,2-3,16-17H2,1H3/t24?,25-,26-,29?/m0/s1
C29H27NO4453.5292100
1687368

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C29H27NO4/c1-2-3-16-34-19-14-12-18(13-15-19)30-27(32)25-24-20-8-4-6-10-22(20)29(17-31,26(25)28(30)33)23-11-7-5-9-21(23)24/h4-15,24-26,31H,2-3,16-17H2,1H3/t24?,25-,26-,29?/m1/s1
C29H27NO4453.5292100
1687369

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C29H27NO4/c1-2-3-16-34-19-14-12-18(13-15-19)30-27(32)25-24-20-8-4-6-10-22(20)29(17-31,26(25)28(30)33)23-11-7-5-9-21(23)24/h4-15,24-26,31H,2-3,16-17H2,1H3/t24?,25-,26+,29?/m1/s1
C29H27NO4453.5292100

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