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
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Found 2 results

Search term: TUBXPWCSONVIAP (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9552444

16 of 16 defined stereocentres - 16/16 defined
InChI=1/C38H58O12/c1-21-7-9-27-23(3)29(43-33-37(27)25(21)13-17-35(5,45-33)47-49-37)15-19-41-31(39)11-12-32(40)42-20-16-30-24(4)28-10-8-22(2)26-14-18-36(6)46-34(44-30)38(26,28)50-48-36/h21-30,33-34H,7-20H2,1-6H3/t21-,22-,23-,24-,25+,26+,27+,28+,29-,30-,33-,34-,35+,36+,37-,38-/m1/s1
C38H58O12706.85994300
8372677

12 of 16 defined stereocentres - 12/16 defined
InChI=1/C38H58O12/c1-21-7-9-27-23(3)29(43-33-37(27)25(21)13-17-35(5,45-33)47-49-37)15-19-41-31(39)11-12-32(40)42-20-16-30-24(4)28-10-8-22(2)26-14-18-36(6)46-34(44-30)38(26,28)50-48-36/h21-30,33-34H,7-20H2,1-6H3/t21-,22-,23-,24-,25?,26?,27?,28?,29-,30-,33-,34-,35+,36+,37-,38-/m1/s1
C38H58O12706.85992100

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