2-(2-butylsulfanyl-3-phenyl-propyl)pentanedioic acid

Systemtic Name: 2-(2-butylsulfanyl-3-phenyl-propyl)pentanedioic acid Openeye Name: 2-(2-butylsulfanyl-3-phenyl-propyl)pentanedioic acid CAS Name: 2-[2-(butylthio)-3-phenylpropyl]pentanedioic acid IUPAC Name: 2-(2-butylsulfanyl-3-phenylpropyl)pentanedioic acid Traditional Name: 2-[2-(butylthio)-3-phenyl-propyl]glutaric acid Formula: C18H26O4S MolecularWeight: 338.46164

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC(CC1=CC=CC=C1)CC(CCC(=O)O)C(=O)O

Isomeric SMILES

CCCCSC(CC1=CC=CC=C1)CC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C18H26O4S/c1-2-3-11-23-16(12-14-7-5-4-6-8-14)13-15(18(21)22)9-10-17(19)20/h4-8,15-16H,2-3,9-13H2,1H3,(H,19,20)(H,21,22)