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 7 results

Search term: SXXXXTQMWPXIES (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9759265

Double-bond stereo

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C28H47NO8/c1-14-10-11-22(31)15(2)12-16(3)25(37-28-24(33)21(29(8)9)13-17(4)35-28)18(5)23(32)19(6)27(34)36-26(14)20(7)30/h10-11,14-21,24-26,28,30,33H,12-13H2,1-9H3/b11-10+/t14-,15-,16+,17-,18+,19-,20-,21+,24-,25+,26+,28-/m1/s1
C28H47NO8525.67473200
34999762

Double-bond stereo

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C28H47NO8/c1-14-10-11-22(31)15(2)12-16(3)25(37-28-24(33)21(29(8)9)13-17(4)35-28)18(5)23(32)19(6)27(34)36-26(14)20(7)30/h10-11,14-21,24-26,28,30,33H,12-13H2,1-9H3/b11-10+/t14-,15-,16+,17-,18+,19-,20-,21+,24-,25+,26+,28+/m1/s1
C28H47NO8525.67472200
65321438

Double-bond stereo

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C28H47NO8/c1-14-10-11-22(31)15(2)12-16(3)25(37-28-24(33)21(29(8)9)13-17(4)35-28)18(5)23(32)19(6)27(34)36-26(14)20(7)30/h10-11,14-21,24-26,28,30,33H,12-13H2,1-9H3/b11-10-/t14-,15-,16+,17-,18+,19-,20-,21+,24-,25+,26+,28+/m1/s1
C28H47NO8525.67472200
76962752

Charge

Double-bond stereo

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C28H47NO8/c1-14-10-11-22(31)15(2)12-16(3)25(37-28-24(33)21(29(8)9)13-17(4)35-28)18(5)23(32)19(6)27(34)36-26(14)20(7)30/h10-11,14-21,24-26,28,30,33H,12-13H2,1-9H3/p+1/b11-10-/t14-,15-,16+,17-,18+,19-,20-,21+,24-,25+,26+,28+/m1/s1
C28H48NO8526.68211100
10172436

Double-bond stereo

10 of 12 defined stereocentres - 10/12 defined
InChI=1/C28H47NO8/c1-14-10-11-22(31)15(2)12-16(3)25(37-28-24(33)21(29(8)9)13-17(4)35-28)18(5)23(32)19(6)27(34)36-26(14)20(7)30/h10-11,14-21,24-26,28,30,33H,12-13H2,1-9H3/b11-10+/t14-,15-,16+,17-,18+,19-,20?,21+,24-,25+,26+,28?/m1/s1
C28H47NO8525.67471100
28283419

Double-bond stereo

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C28H47NO8/c1-14-10-11-22(31)15(2)12-16(3)25(37-28-24(33)21(29(8)9)13-17(4)35-28)18(5)23(32)19(6)27(34)36-26(14)20(7)30/h10-11,14-21,24-26,28,30,33H,12-13H2,1-9H3/b11-10-/t14-,15-,16+,17-,18+,19-,20-,21+,24-,25+,26+,28-/m1/s1
C28H47NO8525.67471100
34999378

Charge

Double-bond stereo

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C28H47NO8/c1-14-10-11-22(31)15(2)12-16(3)25(37-28-24(33)21(29(8)9)13-17(4)35-28)18(5)23(32)19(6)27(34)36-26(14)20(7)30/h10-11,14-21,24-26,28,30,33H,12-13H2,1-9H3/p+1/b11-10+/t14-,15-,16+,17-,18+,19-,20-,21+,24-,25+,26+,28+/m1/s1
C28H48NO8526.68211100

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