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7-(4-methylphenyl)-2-sulfanyl-heptanoic acid

7-(4-methylphenyl)-2-sulfanyl-heptanoic acid

Systemtic Name:7-(4-methylphenyl)-2-sulfanyl-heptanoic acid
Openeye Name:7-(p-tolyl)-2-sulfanyl-heptanoic acid
CAS Name:2-mercapto-7-(4-methylphenyl)heptanoic acid
IUPAC Name:7-(4-methylphenyl)-2-sulfanylheptanoic acid
Traditional Name:2-mercapto-7-(p-tolyl)enanthic acid
Formula: C14H20O2S
MolecularWeight: 252.3724
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCCCCC(C(=O)O)S


Isomeric SMILES

CC1=CC=C(C=C1)CCCCCC(C(=O)O)S


InChI

InChI=1S/C14H20O2S/c1-11-7-9-12(10-8-11)5-3-2-4-6-13(17)14(15)16/h7-10,13,17H,2-6H2,1H3,(H,15,16)


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