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 3 results

Search term: QBQQKHZEHKZMJF (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2339733

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C31H40O8/c1-16(2)28(35)39-27-19-12-18-20(31(6,25(19)34)22(29(27,3)4)14-23(32)36-7)8-10-30(5)21(18)13-24(33)38-26(30)17-9-11-37-15-17/h9,11-12,15-16,19-22,26-27H,8,10,13-14H2,1-7H3/t19-,20-,21-,22-,26-,27+,30+,31-/m0/s1
C31H40O8540.6444999999993300
28637874

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C31H40O8/c1-16(2)28(35)39-27-19-12-18-20(31(6,25(19)34)22(29(27,3)4)14-23(32)36-7)8-10-30(5)21(18)13-24(33)38-26(30)17-9-11-37-15-17/h9,11-12,15-16,19-22,26-27H,8,10,13-14H2,1-7H3/t19-,20+,21+,22+,26+,27-,30-,31-/m1/s1
C31H40O8540.64453300
58816960

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C31H40O8/c1-16(2)28(35)39-27-19-12-18-20(31(6,25(19)34)22(29(27,3)4)14-23(32)36-7)8-10-30(5)21(18)13-24(33)38-26(30)17-9-11-37-15-17/h9,11-12,15-16,19-22,26-27H,8,10,13-14H2,1-7H3/t19-,20-,21-,22-,26-,27+,30?,31?/m0/s1
C31H40O8540.64451100

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