[4-[4-(4-nitrophenyl)sulfanylcarbonylphenyl]phenyl] octanoate

Systemtic Name: [4-[4-(4-nitrophenyl)sulfanylcarbonylphenyl]phenyl] octanoate Openeye Name: [4-[4-(4-nitrophenyl)sulfanylcarbonylphenyl]phenyl] octanoate CAS Name: octanoic acid [4-[4-[[(4-nitrophenyl)thio]-oxomethyl]phenyl]phenyl] ester IUPAC Name: [4-[4-(4-nitrophenyl)sulfanylcarbonylphenyl]phenyl] octanoate Traditional Name: caprylic acid [4-[4-[(4-nitrophenyl)thio]carbonylphenyl]phenyl] ester Formula: C27H27NO5S MolecularWeight: 477.57198

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCC(=O)OC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C27H27NO5S/c1-2-3-4-5-6-7-26(29)33-24-16-12-21(13-17-24)20-8-10-22(11-9-20)27(30)34-25-18-14-23(15-19-25)28(31)32/h8-19H,2-7H2,1H3