2-(2-acetyloxy-4-oxidanyl-hexyl)-2-(2-butoxy-5-methyl-phenyl)sulfanyl-butanedioic acid

Systemtic Name: 2-(2-acetyloxy-4-oxidanyl-hexyl)-2-(2-butoxy-5-methyl-phenyl)sulfanyl-butanedioic acid Openeye Name: 2-(2-acetoxy-4-hydroxy-hexyl)-2-(2-butoxy-5-methyl-phenyl)sulfanyl-butanedioic acid CAS Name: 2-(2-acetyloxy-4-hydroxyhexyl)-2-[(2-butoxy-5-methylphenyl)thio]butanedioic acid IUPAC Name: 2-(2-acetyloxy-4-hydroxyhexyl)-2-(2-butoxy-5-methylphenyl)sulfanylbutanedioic acid Traditional Name: 2-(2-acetoxy-4-hydroxy-hexyl)-2-[(2-butoxy-5-methyl-phenyl)thio]succinic acid Formula: C23H34O8S MolecularWeight: 470.57626

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C)SC(CC(CC(CC)O)OC(=O)C)(CC(=O)O)C(=O)O

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C)SC(CC(CC(CC)O)OC(=O)C)(CC(=O)O)C(=O)O

InChI

InChI=1S/C23H34O8S/c1-5-7-10-30-19-9-8-15(3)11-20(19)32-23(22(28)29,14-21(26)27)13-18(31-16(4)24)12-17(25)6-2/h8-9,11,17-18,25H,5-7,10,12-14H2,1-4H3,(H,26,27)(H,28,29)