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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 13 results

Search term: BWCRYQGQPDBOAU (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
16736154

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C33H48O7/c1-19(2)29-22(5)12-13-32(40-29)17-26-16-25(39-32)11-10-21(4)14-20(3)8-7-9-24-18-37-30-28(34)23(6)15-27(31(35)38-26)33(24,30)36/h7-10,15,19-20,22,25-30,34,36H,11-14,16-18H2,1-6H3/b8-7+,21-10+,24-9+/t20-,22-,25+,26-,27-,28+,29+,30+,32+,33+/m0/s1
C33H48O7556.73191800
32697428

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C33H48O7/c1-19(2)29-22(5)12-13-32(40-29)17-26-16-25(39-32)11-10-21(4)14-20(3)8-7-9-24-18-37-30-28(34)23(6)15-27(31(35)38-26)33(24,30)36/h7-10,15,19-20,22,25-30,34,36H,11-14,16-18H2,1-6H3/b8-7-,21-10-,24-9-/t20-,22-,25+,26-,27-,28+,29+,30+,32+,33+/m0/s1
C33H48O7556.7312800
4944837

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C33H48O7/c1-19(2)29-22(5)12-13-32(40-29)17-26-16-25(39-32)11-10-21(4)14-20(3)8-7-9-24-18-37-30-28(34)23(6)15-27(31(35)38-26)33(24,30)36/h7-10,15,19-20,22,25-30,34,36H,11-14,16-18H2,1-6H3/b8-7+,21-10+,24-9-/t20-,22-,25+,26-,27-,28+,29+,30+,32+,33+/m0/s1
C33H48O7556.734300
77499003

Double-bond stereo

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C33H48O7/c1-19(2)29-22(5)12-13-32(40-29)17-26-16-25(39-32)11-10-21(4)14-20(3)8-7-9-24-18-37-30-28(34)23(6)15-27(31(35)38-26)33(24,30)36/h7-10,15,19-20,22,25-30,34,36H,11-14,16-18H2,1-6H3/b8-7-,21-10+,24-9-/t20-,22-,25-,26+,27-,28-,29+,30-,32?,33+/m0/s1
C33H48O7556.733300
8545922

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C33H48O7/c1-19(2)29-22(5)12-13-32(40-29)17-26-16-25(39-32)11-10-21(4)14-20(3)8-7-9-24-18-37-30-28(34)23(6)15-27(31(35)38-26)33(24,30)36/h7-10,15,19-20,22,25-30,34,36H,11-14,16-18H2,1-6H3/b8-7+,21-10+,24-9+/t20-,22-,25+,26-,27-,28-,29+,30+,32+,33+/m0/s1
C33H48O7556.732100
65321493

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C33H48O7/c1-19(2)29-22(5)12-13-32(40-29)17-26-16-25(39-32)11-10-21(4)14-20(3)8-7-9-24-18-37-30-28(34)23(6)15-27(31(35)38-26)33(24,30)36/h7-10,15,19-20,22,25-30,34,36H,11-14,16-18H2,1-6H3/b8-7+,21-10-,24-9+/t20-,22-,25+,26-,27-,28+,29+,30+,32+,33+/m0/s1
C33H48O7556.731100
79715589

Double-bond stereo

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C33H48O7/c1-19(2)29-22(5)12-13-32(40-29)17-26-16-25(39-32)11-10-21(4)14-20(3)8-7-9-24-18-37-30-28(34)23(6)15-27(31(35)38-26)33(24,30)36/h7-10,15,19-20,22,25-30,34,36H,11-14,16-18H2,1-6H3/b8-7-,21-10-,24-9-/t20?,22-,25+,26+,27-,28+,29+,30-,32+,33-/m0/s1
C33H48O7556.731100
107444679

Double-bond stereo

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C33H48O7/c1-19(2)29-22(5)12-13-32(40-29)17-26-16-25(39-32)11-10-21(4)14-20(3)8-7-9-24-18-37-30-28(34)23(6)15-27(31(35)38-26)33(24,30)36/h7-10,15,19-20,22,25-30,34,36H,11-14,16-18H2,1-6H3/b8-7+,21-10+,24-9+/t20-,22-,25-,26+,27+,28-,29+,30-,32?,33+/m0/s1
C33H48O7556.731700
111307047

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C33H48O7/c1-19(2)29-22(5)12-13-32(40-29)17-26-16-25(39-32)11-10-21(4)14-20(3)8-7-9-24-18-37-30-28(34)23(6)15-27(31(35)38-26)33(24,30)36/h7-10,15,19-20,22,25-30,34,36H,11-14,16-18H2,1-6H3/b8-7-,21-10-,24-9-/t20-,22-,25+,26-,27-,28+,29+,30+,32+,33+/m1/s1
C33H48O7556.731100
111312948

Double-bond stereo

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C33H48O7/c1-19(2)29-22(5)12-13-32(40-29)17-26-16-25(39-32)11-10-21(4)14-20(3)8-7-9-24-18-37-30-28(34)23(6)15-27(31(35)38-26)33(24,30)36/h7-10,15,19-20,22,25-30,34,36H,11-14,16-18H2,1-6H3/b8-7-,21-10-,24-9-/t20-,22-,25-,26+,27-,28-,29+,30-,32?,33+/m1/s1
C33H48O7556.731100
114815167

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C33H48O7/c1-19(2)29-22(5)12-13-32(40-29)17-26-16-25(39-32)11-10-21(4)14-20(3)8-7-9-24-18-37-30-28(34)23(6)15-27(31(35)38-26)33(24,30)36/h7-10,15,19-20,22,25-30,34,36H,11-14,16-18H2,1-6H3/b8-7+,21-10+,24-9+/t20-,22-,25+,26-,27-,28-,29-,30+,32+,33+/m0/s1
C33H48O7556.731100

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