4-naphthalen-2-ylsulfanylbut-2-ynyl 4-nitrobenzoate

Systemtic Name: 4-naphthalen-2-ylsulfanylbut-2-ynyl 4-nitrobenzoate Openeye Name: 4-(2-naphthylsulfanyl)but-2-ynyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 4-(2-naphthalenylthio)but-2-ynyl ester IUPAC Name: 4-naphthalen-2-ylsulfanylbut-2-ynyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid 4-(2-naphthylthio)but-2-ynyl ester Formula: C21H15NO4S MolecularWeight: 377.4131

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)SCC#CCOC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)SCC#CCOC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H15NO4S/c23-21(17-7-10-19(11-8-17)22(24)25)26-13-3-4-14-27-20-12-9-16-5-1-2-6-18(16)15-20/h1-2,5-12,15H,13-14H2