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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: GBVIQYQFMPWELT (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
143938

Double-bond stereo

0 of 11 defined stereocentres - 0/11 defined
InChI=1/C36H58O10/c1-24(2)36-25(3)16-17-27(37)18-28(38)19-29(39)20-30(40)21-31(41)22-32(42)23-34(44)26(4)33(43)14-12-10-8-6-5-7-9-11-13-15-35(45)46-36/h5-13,15-17,24-34,36-44H,14,18-23H2,1-4H3
C36H58O10650.83975300
4531671

Double-bond stereo

0 of 11 defined stereocentres - 0/11 defined
InChI=1/C36H58O10/c1-24(2)36-25(3)16-17-27(37)18-28(38)19-29(39)20-30(40)21-31(41)22-32(42)23-34(44)26(4)33(43)14-12-10-8-6-5-7-9-11-13-15-35(45)46-36/h5-13,15-17,24-34,36-44H,14,18-23H2,1-4H3/b7-5+,8-6+,11-9+,12-10+,15-13+,17-16+
C36H58O10650.83975500
8050032

Double-bond stereo

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C36H58O10/c1-24(2)36-25(3)16-17-27(37)18-28(38)19-29(39)20-30(40)21-31(41)22-32(42)23-34(44)26(4)33(43)14-12-10-8-6-5-7-9-11-13-15-35(45)46-36/h5-13,15-17,24-34,36-44H,14,18-23H2,1-4H3/b7-5+,8-6+,11-9+,12-10+,15-13+,17-16+/t25-,26-,27-,28-,29+,30-,31+,32+,33-,34+,36-/m0/s1
C36H58O10650.83975400
13335876

Double-bond stereo

0 of 11 defined stereocentres - 0/11 defined
InChI=1/C36H58O10/c1-24(2)36-25(3)16-17-27(37)18-28(38)19-29(39)20-30(40)21-31(41)22-32(42)23-34(44)26(4)33(43)14-12-10-8-6-5-7-9-11-13-15-35(45)46-36/h5-13,15-17,24-34,36-44H,14,18-23H2,1-4H3/b7-5-,8-6-,11-9-,12-10-,15-13-,17-16-
C36H58O10650.839742400
26357469

Double-bond stereo

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C36H58O10/c1-24(2)36-25(3)16-17-27(37)18-28(38)19-29(39)20-30(40)21-31(41)22-32(42)23-34(44)26(4)33(43)14-12-10-8-6-5-7-9-11-13-15-35(45)46-36/h5-13,15-17,24-34,36-44H,14,18-23H2,1-4H3/b7-5-,8-6-,11-9-,12-10-,15-13-,17-16-/t25-,26-,27+,28+,29+,30+,31+,32+,33+,34-,36-/m0/s1
C36H58O10650.83972200
5145548

Double-bond stereo

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C36H58O10/c1-24(2)36-25(3)16-17-27(37)18-28(38)19-29(39)20-30(40)21-31(41)22-32(42)23-34(44)26(4)33(43)14-12-10-8-6-5-7-9-11-13-15-35(45)46-36/h5-13,15-17,24-34,36-44H,14,18-23H2,1-4H3/t25-,26-,27+,28+,29?,30+,31+,32+,33+,34-,36-/m0/s1
C36H58O10650.83972100
2497311

Double-bond stereo

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C36H58O10/c1-24(2)36-25(3)16-17-27(37)18-28(38)19-29(39)20-30(40)21-31(41)22-32(42)23-34(44)26(4)33(43)14-12-10-8-6-5-7-9-11-13-15-35(45)46-36/h5-13,15-17,24-34,36-44H,14,18-23H2,1-4H3/t25-,26-,27+,28+,29+,30+,31+,32+,33+,34-,36-/m0/s1
C36H58O10650.83971100
58140020

Double-bond stereo

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C36H58O10/c1-24(2)36-25(3)16-17-27(37)18-28(38)19-29(39)20-30(40)21-31(41)22-32(42)23-34(44)26(4)33(43)14-12-10-8-6-5-7-9-11-13-15-35(45)46-36/h5-13,15-17,24-34,36-44H,14,18-23H2,1-4H3/b7-5+,8-6+,11-9+,12-10-,15-13-,17-16-/t25-,26-,27+,28+,29+,30+,31+,32+,33+,34-,36-/m0/s1
C36H58O10650.83971100
75562811

Double-bond stereo

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C36H58O10/c1-24(2)36-25(3)16-17-27(37)18-28(38)19-29(39)20-30(40)21-31(41)22-32(42)23-34(44)26(4)33(43)14-12-10-8-6-5-7-9-11-13-15-35(45)46-36/h5-13,15-17,24-34,36-44H,14,18-23H2,1-4H3/b7-5-,8-6+,11-9+,12-10+,15-13+,17-16-/t25-,26-,27-,28-,29+,30-,31+,32+,33-,34+,36-/m0/s1
C36H58O10650.83971200
78444496

Double-bond stereo

0 of 11 defined stereocentres - 0/11 defined
InChI=1/C36H58O10/c1-24(2)36-25(3)16-17-27(37)18-28(38)19-29(39)20-30(40)21-31(41)22-32(42)23-34(44)26(4)33(43)14-12-10-8-6-5-7-9-11-13-15-35(45)46-36/h5-13,15-17,24-34,36-44H,14,18-23H2,1-4H3/b7-5?,8-6+,11-9+,12-10+,15-13+,17-16+
C36H58O10650.83971100
79715636

Double-bond stereo

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C36H58O10/c1-24(2)36-25(3)16-17-27(37)18-28(38)19-29(39)20-30(40)21-31(41)22-32(42)23-34(44)26(4)33(43)14-12-10-8-6-5-7-9-11-13-15-35(45)46-36/h5-13,15-17,24-34,36-44H,14,18-23H2,1-4H3/b7-5-,8-6-,11-9-,12-10-,15-13-,17-16-/t25-,26+,27+,28+,29+,30-,31?,32-,33+,34-,36+/m1/s1
C36H58O10650.83971100

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