[4-(4-nitrophenyl)sulfanylcarbonylphenyl] dodecanoate

Systemtic Name: [4-(4-nitrophenyl)sulfanylcarbonylphenyl] dodecanoate Openeye Name: [4-(4-nitrophenyl)sulfanylcarbonylphenyl] dodecanoate CAS Name: dodecanoic acid [4-[[(4-nitrophenyl)thio]-oxomethyl]phenyl] ester IUPAC Name: [4-(4-nitrophenyl)sulfanylcarbonylphenyl] dodecanoate Traditional Name: lauric acid [4-[(4-nitrophenyl)thio]carbonylphenyl] ester Formula: C25H31NO5S MolecularWeight: 457.58234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31NO5S/c1-2-3-4-5-6-7-8-9-10-11-24(27)31-22-16-12-20(13-17-22)25(28)32-23-18-14-21(15-19-23)26(29)30/h12-19H,2-11H2,1H3