octyl 4-(4-nitrophenyl)sulfanylcarbonylbenzoate

Systemtic Name: octyl 4-(4-nitrophenyl)sulfanylcarbonylbenzoate Openeye Name: octyl 4-(4-nitrophenyl)sulfanylcarbonylbenzoate CAS Name: 4-[[(4-nitrophenyl)thio]-oxomethyl]benzoic acid octyl ester IUPAC Name: octyl 4-(4-nitrophenyl)sulfanylcarbonylbenzoate Traditional Name: 4-[(4-nitrophenyl)thio]carbonylbenzoic acid octyl ester Formula: C22H25NO5S MolecularWeight: 415.5026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO5S/c1-2-3-4-5-6-7-16-28-21(24)17-8-10-18(11-9-17)22(25)29-20-14-12-19(13-15-20)23(26)27/h8-15H,2-7,16H2,1H3