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 6 results

Search term: MPWTZPXSZLWXHL (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
7863537

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C31H31FN8O8S2/c1-47-37-22(19-13-50-31(33)35-19)26(42)36-23-27(43)40-24(29(44)45)14(12-49-28(23)40)11-48-30(46)17-10-39(15-2-3-15)20-9-21(38-6-4-34-5-7-38)18(32)8-16(20)25(17)41/h8-10,13,15,23,28,34H,2-7,11-12H2,1H3,(H2,33,35)(H,36,42)(H,44,45)/b37-22+/t23-,28-/m1/s1
C31H31FN8O8S2726.7556500
57483039

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C31H31FN8O8S2/c1-47-37-22(19-13-50-31(33)35-19)26(42)36-23-27(43)40-24(29(44)45)14(12-49-28(23)40)11-48-30(46)17-10-39(15-2-3-15)20-9-21(38-6-4-34-5-7-38)18(32)8-16(20)25(17)41/h8-10,13,15,23,28,34H,2-7,11-12H2,1H3,(H2,33,35)(H,36,42)(H,44,45)/b37-22-/t23-,28-/m1/s1
C31H31FN8O8S2726.7554300
64881741

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C31H31FN8O8S2/c1-47-37-22(19-13-50-31(33)35-19)26(42)36-23-27(43)40-24(29(44)45)14(12-49-28(23)40)11-48-30(46)17-10-39(15-2-3-15)20-9-21(38-6-4-34-5-7-38)18(32)8-16(20)25(17)41/h8-10,13,15,23,28,34H,2-7,11-12H2,1H3,(H2,33,35)(H,36,42)(H,44,45)/b37-22+
C31H31FN8O8S2726.7551100
67159696

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C31H31FN8O8S2/c1-47-37-22(19-13-50-31(33)35-19)26(42)36-23-27(43)40-24(29(44)45)14(12-49-28(23)40)11-48-30(46)17-10-39(15-2-3-15)20-9-21(38-6-4-34-5-7-38)18(32)8-16(20)25(17)41/h8-10,13,15,23,28,34H,2-7,11-12H2,1H3,(H2,33,35)(H,36,42)(H,44,45)/t23-,28-/m1/s1
C31H31FN8O8S2726.7551100
114812436

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C31H31FN8O8S2/c1-47-37-22(19-13-50-31(33)35-19)26(42)36-23-27(43)40-24(29(44)45)14(12-49-28(23)40)11-48-30(46)17-10-39(15-2-3-15)20-9-21(38-6-4-34-5-7-38)18(32)8-16(20)25(17)41/h8-10,13,15,23,28,34H,2-7,11-12H2,1H3,(H2,33,35)(H,36,42)(H,44,45)/t23-,28+/m1/s1
C31H31FN8O8S2726.7551100

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