7-(5-carboxy-4-methyl-4-phenyl-hex-5-enyl)sulfanyl-4-methyl-4-phenyl-heptanoic acid

Systemtic Name: 7-(5-carboxy-4-methyl-4-phenyl-hex-5-enyl)sulfanyl-4-methyl-4-phenyl-heptanoic acid Openeye Name: 7-(5-carboxy-4-methyl-4-phenyl-hex-5-enyl)sulfanyl-4-methyl-4-phenyl-heptanoic acid CAS Name: 7-[(5-carboxy-4-methyl-4-phenylhex-5-enyl)thio]-4-methyl-4-phenylheptanoic acid IUPAC Name: 7-(5-carboxy-4-methyl-4-phenylhex-5-enyl)sulfanyl-4-methyl-4-phenylheptanoic acid Traditional Name: 7-[(5-carboxy-4-methyl-4-phenyl-hex-5-enyl)thio]-4-methyl-4-phenyl-enanthic acid Formula: C28H36O4S MolecularWeight: 468.64804

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCSCCCC(C)(C1=CC=CC=C1)C(=C)C(=O)O)(CCC(=O)O)C2=CC=CC=C2

Isomeric SMILES

CC(CCCSCCCC(C)(C1=CC=CC=C1)C(=C)C(=O)O)(CCC(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C28H36O4S/c1-22(26(31)32)28(3,24-14-8-5-9-15-24)18-11-21-33-20-10-17-27(2,19-16-25(29)30)23-12-6-4-7-13-23/h4-9,12-15H,1,10-11,16-21H2,2-3H3,(H,29,30)(H,31,32)