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

Systemtic Name: 2-butan-2-yl-4-[(4-methoxyphenyl)methylsulfanyl]-5-methyl-heptanoic acid Openeye Name: 4-[(4-methoxyphenyl)methylsulfanyl]-5-methyl-2-sec-butyl-heptanoic acid CAS Name: 2-butan-2-yl-4-[(4-methoxyphenyl)methylthio]-5-methylheptanoic acid IUPAC Name: 2-butan-2-yl-4-[(4-methoxyphenyl)methylsulfanyl]-5-methylheptanoic acid Traditional Name: 5-methyl-4-(p-anisylthio)-2-sec-butyl-enanthic acid Formula: C20H32O3S MolecularWeight: 352.53128

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(CC(C(C)CC)SCC1=CC=C(C=C1)OC)C(=O)O

Isomeric SMILES

CCC(C)C(CC(C(C)CC)SCC1=CC=C(C=C1)OC)C(=O)O

InChI

InChI=1S/C20H32O3S/c1-6-14(3)18(20(21)22)12-19(15(4)7-2)24-13-16-8-10-17(23-5)11-9-16/h8-11,14-15,18-19H,6-7,12-13H2,1-5H3,(H,21,22)