2-(4-methylphenyl)sulfonyl-7-naphthalen-2-yl-heptanoic acid

Systemtic Name: 2-(4-methylphenyl)sulfonyl-7-naphthalen-2-yl-heptanoic acid Openeye Name: 7-(2-naphthyl)-2-(p-tolylsulfonyl)heptanoic acid CAS Name: 2-(4-methylphenyl)sulfonyl-7-(2-naphthalenyl)heptanoic acid IUPAC Name: 2-(4-methylphenyl)sulfonyl-7-naphthalen-2-ylheptanoic acid Traditional Name: 7-(2-naphthyl)-2-tosyl-enanthic acid Formula: C24H26O4S MolecularWeight: 410.52584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(CCCCCC2=CC3=CC=CC=C3C=C2)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(CCCCCC2=CC3=CC=CC=C3C=C2)C(=O)O

InChI

InChI=1S/C24H26O4S/c1-18-11-15-22(16-12-18)29(27,28)23(24(25)26)10-4-2-3-7-19-13-14-20-8-5-6-9-21(20)17-19/h5-6,8-9,11-17,23H,2-4,7,10H2,1H3,(H,25,26)