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 2 results

Search term: AVDGYJJCYUXZBP (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
346366

12 of 26 defined stereocentres - 12/26 defined
InChI=1/C48H78O19/c1-20-29(54)32(57)34(59)40(63-20)65-36-30(55)26(53)18-62-42(36)67-39(61)23-14-43(2,3)13-22-21-9-10-28-45(5)15-25(52)38(66-41-35(60)33(58)31(56)27(17-49)64-41)46(6,19-50)37(45)24(51)16-48(28,8)47(21,7)12-11-44(22,23)4/h9,20,22-38,40-42,49-60H,10-19H2,1-8H3/t20?,22-,23-,24+,25-,26?,27?,28+,29?,30?,31?,32?,33?,34?,35?,36?,37+,38-,40?,41?,42?,44+,45+,46-,47+,48+/m0/s1
C48H78O19959.12153100
2992188

0 of 26 defined stereocentres - 0/26 defined
InChI=1/C48H78O19/c1-20-29(54)32(57)34(59)40(63-20)65-36-30(55)26(53)18-62-42(36)67-39(61)23-14-43(2,3)13-22-21-9-10-28-45(5)15-25(52)38(66-41-35(60)33(58)31(56)27(17-49)64-41)46(6,19-50)37(45)24(51)16-48(28,8)47(21,7)12-11-44(22,23)4/h9,20,22-38,40-42,49-60H,10-19H2,1-8H3
C48H78O19959.1215199999983200

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