2-(4-methylphenyl)sulfonyl-7-(4-nitrophenyl)heptanoic acid

Systemtic Name: 2-(4-methylphenyl)sulfonyl-7-(4-nitrophenyl)heptanoic acid Openeye Name: 7-(4-nitrophenyl)-2-(p-tolylsulfonyl)heptanoic acid CAS Name: 2-(4-methylphenyl)sulfonyl-7-(4-nitrophenyl)heptanoic acid IUPAC Name: 2-(4-methylphenyl)sulfonyl-7-(4-nitrophenyl)heptanoic acid Traditional Name: 7-(4-nitrophenyl)-2-tosyl-enanthic acid Formula: C20H23NO6S MolecularWeight: 405.46472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(CCCCCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(CCCCCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C20H23NO6S/c1-15-7-13-18(14-8-15)28(26,27)19(20(22)23)6-4-2-3-5-16-9-11-17(12-10-16)21(24)25/h7-14,19H,2-6H2,1H3,(H,22,23)