2-[2-carboxylato-6-(3-methylbutyl)phenyl]sulfanyl-3-(3-methylbutyl)benzoate

Systemtic Name: 2-[2-carboxylato-6-(3-methylbutyl)phenyl]sulfanyl-3-(3-methylbutyl)benzoate Openeye Name: 2-(2-carboxylato-6-isopentyl-phenyl)sulfanyl-3-isopentyl-benzoate CAS Name: 2-[[2-carboxylato-6-(3-methylbutyl)phenyl]thio]-3-(3-methylbutyl)benzoate IUPAC Name: 2-[2-carboxylato-6-(3-methylbutyl)phenyl]sulfanyl-3-(3-methylbutyl)benzoate Traditional Name: 2-[(2-carboxylato-6-isoamyl-phenyl)thio]-3-isoamyl-benzoate Formula: C24H28O4S-2 MolecularWeight: 412.54172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1=CC=CC(=C1SC2=C(C=CC=C2CCC(C)C)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC(C)CCC1=CC=CC(=C1SC2=C(C=CC=C2CCC(C)C)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C24H30O4S/c1-15(2)11-13-17-7-5-9-19(23(25)26)21(17)29-22-18(14-12-16(3)4)8-6-10-20(22)24(27)28/h5-10,15-16H,11-14H2,1-4H3,(H,25,26)(H,27,28)/p-2