2-(7-methoxy-2-methoxycarbonyl-2,6-dimethyl-7-oxidanylidene-4-phenyl-heptyl)sulfanylbenzoic acid

Systemtic Name: 2-(7-methoxy-2-methoxycarbonyl-2,6-dimethyl-7-oxidanylidene-4-phenyl-heptyl)sulfanylbenzoic acid Openeye Name: 2-(7-methoxy-2-methoxycarbonyl-2,6-dimethyl-7-oxo-4-phenyl-heptyl)sulfanylbenzoic acid CAS Name: 2-[(7-methoxy-2-methoxycarbonyl-2,6-dimethyl-7-oxo-4-phenylheptyl)thio]benzoic acid IUPAC Name: 2-(7-methoxy-2-methoxycarbonyl-2,6-dimethyl-7-oxo-4-phenylheptyl)sulfanylbenzoic acid Traditional Name: 2-[(2-carbomethoxy-7-keto-7-methoxy-2,6-dimethyl-4-phenyl-heptyl)thio]benzoic acid Formula: C25H30O6S MolecularWeight: 458.5671

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(CC(C)(CSC1=CC=CC=C1C(=O)O)C(=O)OC)C2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC(CC(CC(C)(CSC1=CC=CC=C1C(=O)O)C(=O)OC)C2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C25H30O6S/c1-17(23(28)30-3)14-19(18-10-6-5-7-11-18)15-25(2,24(29)31-4)16-32-21-13-9-8-12-20(21)22(26)27/h5-13,17,19H,14-16H2,1-4H3,(H,26,27)