naphthalen-2-yl 4-[(2-methylphenyl)methylsulfanyl]-3-nitro-benzoate

Systemtic Name: naphthalen-2-yl 4-[(2-methylphenyl)methylsulfanyl]-3-nitro-benzoate Openeye Name: 2-naphthyl 3-nitro-4-(o-tolylmethylsulfanyl)benzoate CAS Name: 4-[(2-methylphenyl)methylthio]-3-nitrobenzoic acid 2-naphthalenyl ester IUPAC Name: naphthalen-2-yl 4-[(2-methylphenyl)methylsulfanyl]-3-nitrobenzoate Traditional Name: 4-[(2-methylbenzyl)thio]-3-nitro-benzoic acid 2-naphthyl ester Formula: C25H19NO4S MolecularWeight: 429.48766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=C(C=C(C=C2)C(=O)OC3=CC4=CC=CC=C4C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1CSC2=C(C=C(C=C2)C(=O)OC3=CC4=CC=CC=C4C=C3)[N+](=O)[O-]

InChI

InChI=1S/C25H19NO4S/c1-17-6-2-3-9-21(17)16-31-24-13-11-20(15-23(24)26(28)29)25(27)30-22-12-10-18-7-4-5-8-19(18)14-22/h2-15H,16H2,1H3