7-[2-(2-methylpropylsulfanyl)naphthalen-1-yl]heptanoic acid

Systemtic Name: 7-[2-(2-methylpropylsulfanyl)naphthalen-1-yl]heptanoic acid Openeye Name: 7-(2-isobutylsulfanyl-1-naphthyl)heptanoic acid CAS Name: 7-[2-(2-methylpropylthio)-1-naphthalenyl]heptanoic acid IUPAC Name: 7-[2-(2-methylpropylsulfanyl)naphthalen-1-yl]heptanoic acid Traditional Name: 7-[2-(isobutylthio)-1-naphthyl]enanthic acid Formula: C21H28O2S MolecularWeight: 344.51082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=C(C2=CC=CC=C2C=C1)CCCCCCC(=O)O

Isomeric SMILES

CC(C)CSC1=C(C2=CC=CC=C2C=C1)CCCCCCC(=O)O

InChI

InChI=1S/C21H28O2S/c1-16(2)15-24-20-14-13-17-9-7-8-10-18(17)19(20)11-5-3-4-6-12-21(22)23/h7-10,13-14,16H,3-6,11-12,15H2,1-2H3,(H,22,23)