10-[[2,4-dimethoxy-6-(4-oxidanyl-4-oxidanylidene-butyl)sulfanyl-phenyl]amino]-10-oxidanylidene-decanoic acid

Systemtic Name: 10-[[2,4-dimethoxy-6-(4-oxidanyl-4-oxidanylidene-butyl)sulfanyl-phenyl]amino]-10-oxidanylidene-decanoic acid Openeye Name: 10-[2-(4-hydroxy-4-oxo-butyl)sulfanyl-4,6-dimethoxy-anilino]-10-oxo-decanoic acid CAS Name: 10-[2-[(4-hydroxy-4-oxobutyl)thio]-4,6-dimethoxyanilino]-10-oxodecanoic acid IUPAC Name: 10-[2-(4-hydroxy-4-oxobutyl)sulfanyl-4,6-dimethoxyanilino]-10-oxodecanoic acid Traditional Name: 10-[2-[(4-hydroxy-4-keto-butyl)thio]-4,6-dimethoxy-anilino]-10-keto-capric acid Formula: C22H33NO7S MolecularWeight: 455.56492

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C(=C1)SCCCC(=O)O)NC(=O)CCCCCCCCC(=O)O)OC

Isomeric SMILES

COC1=CC(=C(C(=C1)SCCCC(=O)O)NC(=O)CCCCCCCCC(=O)O)OC

InChI

InChI=1S/C22H33NO7S/c1-29-16-14-17(30-2)22(18(15-16)31-13-9-12-21(27)28)23-19(24)10-7-5-3-4-6-8-11-20(25)26/h14-15H,3-13H2,1-2H3,(H,23,24)(H,25,26)(H,27,28)