2-(4-methylphenyl)sulfonyl-7-naphthalen-1-yl-heptanoic acid

Systemtic Name: 2-(4-methylphenyl)sulfonyl-7-naphthalen-1-yl-heptanoic acid Openeye Name: 7-(1-naphthyl)-2-(p-tolylsulfonyl)heptanoic acid CAS Name: 2-(4-methylphenyl)sulfonyl-7-(1-naphthalenyl)heptanoic acid IUPAC Name: 2-(4-methylphenyl)sulfonyl-7-naphthalen-1-ylheptanoic acid Traditional Name: 7-(1-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=CC=CC3=CC=CC=C32)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(CCCCCC2=CC=CC3=CC=CC=C32)C(=O)O

InChI

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