7-(4-chlorophenyl)-2-(2-methylfuran-3-yl)sulfanyl-heptanoic acid

Systemtic Name: 7-(4-chlorophenyl)-2-(2-methylfuran-3-yl)sulfanyl-heptanoic acid Openeye Name: 7-(4-chlorophenyl)-2-[(2-methyl-3-furyl)sulfanyl]heptanoic acid CAS Name: 7-(4-chlorophenyl)-2-[(2-methyl-3-furanyl)thio]heptanoic acid IUPAC Name: 7-(4-chlorophenyl)-2-(2-methylfuran-3-yl)sulfanylheptanoic acid Traditional Name: 7-(4-chlorophenyl)-2-[(2-methyl-3-furyl)thio]enanthic acid Formula: C18H21ClO3S MolecularWeight: 352.87554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)SC(CCCCCC2=CC=C(C=C2)Cl)C(=O)O

Isomeric SMILES

CC1=C(C=CO1)SC(CCCCCC2=CC=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C18H21ClO3S/c1-13-16(11-12-22-13)23-17(18(20)21)6-4-2-3-5-14-7-9-15(19)10-8-14/h7-12,17H,2-6H2,1H3,(H,20,21)