6-[3-methoxy-4-[(E)-C-(4-methoxyphenyl)-N-oxidanyl-carbonimidoyl]phenyl]sulfanylhexanoic acid

Systemtic Name: 6-[3-methoxy-4-[(E)-C-(4-methoxyphenyl)-N-oxidanyl-carbonimidoyl]phenyl]sulfanylhexanoic acid Openeye Name: 6-[4-[(E)-N-hydroxy-C-(4-methoxyphenyl)carbonimidoyl]-3-methoxy-phenyl]sulfanylhexanoic acid CAS Name: 6-[[4-[(E)-hydroxyimino-(4-methoxyphenyl)methyl]-3-methoxyphenyl]thio]hexanoic acid IUPAC Name: 6-[4-[(E)-N-hydroxy-C-(4-methoxyphenyl)carbonimidoyl]-3-methoxyphenyl]sulfanylhexanoic acid Traditional Name: 6-[[3-methoxy-4-[(E)-(4-methoxyphenyl)carbohydroximoyl]phenyl]thio]hexanoic acid Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=NO)C2=C(C=C(C=C2)SCCCCCC(=O)O)OC

Isomeric SMILES

COC1=CC=C(C=C1)/C(=N\O)/C2=C(C=C(C=C2)SCCCCCC(=O)O)OC

InChI

InChI=1S/C21H25NO5S/c1-26-16-9-7-15(8-10-16)21(22-25)18-12-11-17(14-19(18)27-2)28-13-5-3-4-6-20(23)24/h7-12,14,25H,3-6,13H2,1-2H3,(H,23,24)/b22-21+