2-[2-(5-dodecyl-2-methyl-phenyl)sulfanyl-1-oxidanyl-ethyl]butanedioic acid

Systemtic Name: 2-[2-(5-dodecyl-2-methyl-phenyl)sulfanyl-1-oxidanyl-ethyl]butanedioic acid Openeye Name: 2-[2-(5-dodecyl-2-methyl-phenyl)sulfanyl-1-hydroxy-ethyl]butanedioic acid CAS Name: 2-[2-[(5-dodecyl-2-methylphenyl)thio]-1-hydroxyethyl]butanedioic acid IUPAC Name: 2-[2-(5-dodecyl-2-methylphenyl)sulfanyl-1-hydroxyethyl]butanedioic acid Traditional Name: 2-[1-hydroxy-2-[(5-lauryl-2-methyl-phenyl)thio]ethyl]succinic acid Formula: C25H40O5S MolecularWeight: 452.6471

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC(=C(C=C1)C)SCC(C(CC(=O)O)C(=O)O)O

Isomeric SMILES

CCCCCCCCCCCCC1=CC(=C(C=C1)C)SCC(C(CC(=O)O)C(=O)O)O

InChI

InChI=1S/C25H40O5S/c1-3-4-5-6-7-8-9-10-11-12-13-20-15-14-19(2)23(16-20)31-18-22(26)21(25(29)30)17-24(27)28/h14-16,21-22,26H,3-13,17-18H2,1-2H3,(H,27,28)(H,29,30)