2-butan-2-yl-4-[(4-methoxyphenyl)methylsulfanyl]-5-phenyl-pentanoic acid

Systemtic Name: 2-butan-2-yl-4-[(4-methoxyphenyl)methylsulfanyl]-5-phenyl-pentanoic acid Openeye Name: 4-[(4-methoxyphenyl)methylsulfanyl]-5-phenyl-2-sec-butyl-pentanoic acid CAS Name: 2-butan-2-yl-4-[(4-methoxyphenyl)methylthio]-5-phenylpentanoic acid IUPAC Name: 2-butan-2-yl-4-[(4-methoxyphenyl)methylsulfanyl]-5-phenylpentanoic acid Traditional Name: 4-(p-anisylthio)-5-phenyl-2-sec-butyl-valeric acid Formula: C23H30O3S MolecularWeight: 386.5475

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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