[4-(4-nitrophenyl)sulfanylcarbonylphenyl] octanoate

Systemtic Name: [4-(4-nitrophenyl)sulfanylcarbonylphenyl] octanoate Openeye Name: [4-(4-nitrophenyl)sulfanylcarbonylphenyl] octanoate CAS Name: octanoic acid [4-[[(4-nitrophenyl)thio]-oxomethyl]phenyl] ester IUPAC Name: [4-(4-nitrophenyl)sulfanylcarbonylphenyl] octanoate Traditional Name: caprylic acid [4-[(4-nitrophenyl)thio]carbonylphenyl] ester Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC1=CC=C(C=C1)C(=O)SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCC(=O)OC1=CC=C(C=C1)C(=O)SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H23NO5S/c1-2-3-4-5-6-7-20(23)27-18-12-8-16(9-13-18)21(24)28-19-14-10-17(11-15-19)22(25)26/h8-15H,2-7H2,1H3