2-[1-(2-dodecylphenyl)-2-oxidanyl-2-oxidanylidene-ethyl]sulfanylbutanedioic acid

Systemtic Name: 2-[1-(2-dodecylphenyl)-2-oxidanyl-2-oxidanylidene-ethyl]sulfanylbutanedioic acid Openeye Name: 2-[1-(2-dodecylphenyl)-2-hydroxy-2-oxo-ethyl]sulfanylbutanedioic acid CAS Name: 2-[[1-(2-dodecylphenyl)-2-hydroxy-2-oxoethyl]thio]butanedioic acid IUPAC Name: 2-[1-(2-dodecylphenyl)-2-hydroxy-2-oxoethyl]sulfanylbutanedioic acid Traditional Name: 2-[[2-hydroxy-2-keto-1-(2-laurylphenyl)ethyl]thio]succinic acid Formula: C24H36O6S MolecularWeight: 452.60404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1C(C(=O)O)SC(CC(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1C(C(=O)O)SC(CC(=O)O)C(=O)O

InChI

InChI=1S/C24H36O6S/c1-2-3-4-5-6-7-8-9-10-11-14-18-15-12-13-16-19(18)22(24(29)30)31-20(23(27)28)17-21(25)26/h12-13,15-16,20,22H,2-11,14,17H2,1H3,(H,25,26)(H,27,28)(H,29,30)