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

Systemtic Name: [4-[4-(4-nitrophenyl)sulfanylcarbonylphenyl]phenyl] nonanoate Openeye Name: [4-[4-(4-nitrophenyl)sulfanylcarbonylphenyl]phenyl] nonanoate CAS Name: nonanoic acid [4-[4-[[(4-nitrophenyl)thio]-oxomethyl]phenyl]phenyl] ester IUPAC Name: [4-[4-(4-nitrophenyl)sulfanylcarbonylphenyl]phenyl] nonanoate Traditional Name: pelargonic acid [4-[4-[(4-nitrophenyl)thio]carbonylphenyl]phenyl] ester Formula: C28H29NO5S MolecularWeight: 491.59856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H29NO5S/c1-2-3-4-5-6-7-8-27(30)34-25-17-13-22(14-18-25)21-9-11-23(12-10-21)28(31)35-26-19-15-24(16-20-26)29(32)33/h9-20H,2-8H2,1H3