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: GDMNMKRAQFJSGD (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
443751

2 of 6 defined stereocentres - 2/6 defined
InChI=1/C36H42O12/c1-17-18-10-11-20-21(22(18)43-25(38)19(17)16-37)23(44-28(41)35-14-12-33(8,26(39)47-35)31(35,4)5)24(30(2,3)46-20)45-29(42)36-15-13-34(9,27(40)48-36)32(36,6)7/h10-11,23-24,37H,12-16H2,1-9H3/t23-,24-,33?,34?,35?,36?/m1/s1
C36H42O12666.71155400
9665620

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C36H42O12/c1-17-18-10-11-20-21(22(18)43-25(38)19(17)16-37)23(44-28(41)35-14-12-33(8,26(39)47-35)31(35,4)5)24(30(2,3)46-20)45-29(42)36-15-13-34(9,27(40)48-36)32(36,6)7/h10-11,23-24,37H,12-16H2,1-9H3/t23-,24-,33+,34+,35-,36-/m1/s1
C36H42O12666.71152100
9796414

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C36H42O12/c1-17-18-10-11-20-21(22(18)43-25(38)19(17)16-37)23(44-28(41)35-14-12-33(8,26(39)47-35)31(35,4)5)24(30(2,3)46-20)45-29(42)36-15-13-34(9,27(40)48-36)32(36,6)7/h10-11,23-24,37H,12-16H2,1-9H3
C36H42O12666.71152100

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