[4-(4-nitrophenyl)sulfanylcarbonylphenyl] heptanoate

Systemtic Name: [4-(4-nitrophenyl)sulfanylcarbonylphenyl] heptanoate Openeye Name: [4-(4-nitrophenyl)sulfanylcarbonylphenyl] heptanoate CAS Name: heptanoic acid [4-[[(4-nitrophenyl)thio]-oxomethyl]phenyl] ester IUPAC Name: [4-(4-nitrophenyl)sulfanylcarbonylphenyl] heptanoate Traditional Name: enanthic acid [4-[(4-nitrophenyl)thio]carbonylphenyl] ester Formula: C20H21NO5S MolecularWeight: 387.44944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO5S/c1-2-3-4-5-6-19(22)26-17-11-7-15(8-12-17)20(23)27-18-13-9-16(10-14-18)21(24)25/h7-14H,2-6H2,1H3