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: NPDWRKAPYWUGGC (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
27022370

Double-bond stereo

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C34H46O15/c1-15(2)13-23(39)48-27-25(45-19(6)36)28(46-20(7)37)33(14-43-33)26-30(47-21(8)38)34(41)17(4)31(40)49-29(34)24(42-10)16(3)11-12-22(32(26,27)9)44-18(5)35/h11-12,15,17,22,24-30,41H,3,13-14H2,1-2,4-10H3/b12-11-/t17-,22-,24+,25+,26+,27-,28+,29-,30-,32+,33-,34-/m0/s1
C34H46O15694.722200
58170438

Double-bond stereo

11 of 12 defined stereocentres - 11/12 defined
InChI=1/C34H46O15/c1-15(2)13-23(39)48-27-25(45-19(6)36)28(46-20(7)37)33(14-43-33)26-30(47-21(8)38)34(41)17(4)31(40)49-29(34)24(42-10)16(3)11-12-22(32(26,27)9)44-18(5)35/h11-12,15,17,22,24-30,41H,3,13-14H2,1-2,4-10H3/b12-11+/t17-,22?,24+,25+,26+,27-,28+,29-,30-,32+,33-,34-/m0/s1
C34H46O15694.722200
35518162

Double-bond stereo

11 of 12 defined stereocentres - 11/12 defined
InChI=1/C34H46O15/c1-15(2)13-23(39)48-27-25(45-19(6)36)28(46-20(7)37)33(14-43-33)26-30(47-21(8)38)34(41)17(4)31(40)49-29(34)24(42-10)16(3)11-12-22(32(26,27)9)44-18(5)35/h11-12,15,17,22,24-30,41H,3,13-14H2,1-2,4-10H3/b12-11-/t17-,22?,24+,25+,26+,27-,28+,29-,30-,32+,33-,34-/m0/s1
C34H46O15694.721100

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