naphthalen-1-ylmethyl 3-nitro-4-phenylsulfanyl-benzoate

Systemtic Name: naphthalen-1-ylmethyl 3-nitro-4-phenylsulfanyl-benzoate Openeye Name: 1-naphthylmethyl 3-nitro-4-phenylsulfanyl-benzoate CAS Name: 3-nitro-4-(phenylthio)benzoic acid 1-naphthalenylmethyl ester IUPAC Name: naphthalen-1-ylmethyl 3-nitro-4-phenylsulfanylbenzoate Traditional Name: 3-nitro-4-(phenylthio)benzoic acid 1-naphthylmethyl ester Formula: C24H17NO4S MolecularWeight: 415.46108

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)OCC3=CC=CC4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)OCC3=CC=CC4=CC=CC=C43)[N+](=O)[O-]

InChI

InChI=1S/C24H17NO4S/c26-24(29-16-19-9-6-8-17-7-4-5-12-21(17)19)18-13-14-23(22(15-18)25(27)28)30-20-10-2-1-3-11-20/h1-15H,16H2