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
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Found 9 results

Search term: ORTMWWQHMCADOR (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
29400776

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C35H44Cl3N3O6S/c1-23-19-41(24(2)22-42)35(43)30-18-28(39-48(44,45)29-12-9-27(36)10-13-29)11-15-33(30)47-25(3)7-5-6-16-46-34(23)21-40(4)20-26-8-14-31(37)32(38)17-26/h8-15,17-18,23-25,34,39,42H,5-7,16,19-22H2,1-4H3/t23-,24+,25-,34+/m0/s1
C35H44Cl3N3O6S741.16444400
29405199

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C35H44Cl3N3O6S/c1-23-19-41(24(2)22-42)35(43)30-18-28(39-48(44,45)29-12-9-27(36)10-13-29)11-15-33(30)47-25(3)7-5-6-16-46-34(23)21-40(4)20-26-8-14-31(37)32(38)17-26/h8-15,17-18,23-25,34,39,42H,5-7,16,19-22H2,1-4H3/t23-,24+,25-,34+/m1/s1
C35H44Cl3N3O6S741.16444400
29407500

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C35H44Cl3N3O6S/c1-23-19-41(24(2)22-42)35(43)30-18-28(39-48(44,45)29-12-9-27(36)10-13-29)11-15-33(30)47-25(3)7-5-6-16-46-34(23)21-40(4)20-26-8-14-31(37)32(38)17-26/h8-15,17-18,23-25,34,39,42H,5-7,16,19-22H2,1-4H3/t23-,24+,25-,34-/m1/s1
C35H44Cl3N3O6S741.16444400
28654838

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C35H44Cl3N3O6S/c1-23-19-41(24(2)22-42)35(43)30-18-28(39-48(44,45)29-12-9-27(36)10-13-29)11-15-33(30)47-25(3)7-5-6-16-46-34(23)21-40(4)20-26-8-14-31(37)32(38)17-26/h8-15,17-18,23-25,34,39,42H,5-7,16,19-22H2,1-4H3/t23-,24+,25+,34-/m0/s1
C35H44Cl3N3O6S741.16442200
28656691

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C35H44Cl3N3O6S/c1-23-19-41(24(2)22-42)35(43)30-18-28(39-48(44,45)29-12-9-27(36)10-13-29)11-15-33(30)47-25(3)7-5-6-16-46-34(23)21-40(4)20-26-8-14-31(37)32(38)17-26/h8-15,17-18,23-25,34,39,42H,5-7,16,19-22H2,1-4H3/t23-,24+,25+,34+/m0/s1
C35H44Cl3N3O6S741.16442200
29399843

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C35H44Cl3N3O6S/c1-23-19-41(24(2)22-42)35(43)30-18-28(39-48(44,45)29-12-9-27(36)10-13-29)11-15-33(30)47-25(3)7-5-6-16-46-34(23)21-40(4)20-26-8-14-31(37)32(38)17-26/h8-15,17-18,23-25,34,39,42H,5-7,16,19-22H2,1-4H3/t23-,24-,25+,34+/m0/s1
C35H44Cl3N3O6S741.16442200
29401686

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C35H44Cl3N3O6S/c1-23-19-41(24(2)22-42)35(43)30-18-28(39-48(44,45)29-12-9-27(36)10-13-29)11-15-33(30)47-25(3)7-5-6-16-46-34(23)21-40(4)20-26-8-14-31(37)32(38)17-26/h8-15,17-18,23-25,34,39,42H,5-7,16,19-22H2,1-4H3/t23-,24-,25+,34-/m1/s1
C35H44Cl3N3O6S741.16442200
29402594

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C35H44Cl3N3O6S/c1-23-19-41(24(2)22-42)35(43)30-18-28(39-48(44,45)29-12-9-27(36)10-13-29)11-15-33(30)47-25(3)7-5-6-16-46-34(23)21-40(4)20-26-8-14-31(37)32(38)17-26/h8-15,17-18,23-25,34,39,42H,5-7,16,19-22H2,1-4H3/t23-,24-,25+,34+/m1/s1
C35H44Cl3N3O6S741.16442200
29403389

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C35H44Cl3N3O6S/c1-23-19-41(24(2)22-42)35(43)30-18-28(39-48(44,45)29-12-9-27(36)10-13-29)11-15-33(30)47-25(3)7-5-6-16-46-34(23)21-40(4)20-26-8-14-31(37)32(38)17-26/h8-15,17-18,23-25,34,39,42H,5-7,16,19-22H2,1-4H3/t23-,24-,25-,34+/m1/s1
C35H44Cl3N3O6S741.16442200

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