4-[(4-methoxyphenyl)methylsulfanyl]-5-methyl-2-(phenylmethyl)heptanoic acid

Systemtic Name: 4-[(4-methoxyphenyl)methylsulfanyl]-5-methyl-2-(phenylmethyl)heptanoic acid Openeye Name: 2-benzyl-4-[(4-methoxyphenyl)methylsulfanyl]-5-methyl-heptanoic acid CAS Name: 4-[(4-methoxyphenyl)methylthio]-5-methyl-2-(phenylmethyl)heptanoic acid IUPAC Name: 2-benzyl-4-[(4-methoxyphenyl)methylsulfanyl]-5-methylheptanoic acid Traditional Name: 2-benzyl-5-methyl-4-(p-anisylthio)enanthic acid Formula: C23H30O3S MolecularWeight: 386.5475

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(CC(CC1=CC=CC=C1)C(=O)O)SCC2=CC=C(C=C2)OC

Isomeric SMILES

CCC(C)C(CC(CC1=CC=CC=C1)C(=O)O)SCC2=CC=C(C=C2)OC

InChI

InChI=1S/C23H30O3S/c1-4-17(2)22(27-16-19-10-12-21(26-3)13-11-19)15-20(23(24)25)14-18-8-6-5-7-9-18/h5-13,17,20,22H,4,14-16H2,1-3H3,(H,24,25)