heptyl 4-(4-nitrophenyl)sulfanylcarbonylbenzoate

Systemtic Name: heptyl 4-(4-nitrophenyl)sulfanylcarbonylbenzoate Openeye Name: heptyl 4-(4-nitrophenyl)sulfanylcarbonylbenzoate CAS Name: 4-[[(4-nitrophenyl)thio]-oxomethyl]benzoic acid heptyl ester IUPAC Name: heptyl 4-(4-nitrophenyl)sulfanylcarbonylbenzoate Traditional Name: 4-[(4-nitrophenyl)thio]carbonylbenzoic acid heptyl ester Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO5S/c1-2-3-4-5-6-15-27-20(23)16-7-9-17(10-8-16)21(24)28-19-13-11-18(12-14-19)22(25)26/h7-14H,2-6,15H2,1H3