4-(4-methylphenyl)sulfanylbut-2-ynyl 4-nitrobenzoate

Systemtic Name: 4-(4-methylphenyl)sulfanylbut-2-ynyl 4-nitrobenzoate Openeye Name: 4-(p-tolylsulfanyl)but-2-ynyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 4-[(4-methylphenyl)thio]but-2-ynyl ester IUPAC Name: 4-(4-methylphenyl)sulfanylbut-2-ynyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid 4-(p-tolylthio)but-2-ynyl ester Formula: C18H15NO4S MolecularWeight: 341.381

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC#CCOC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SCC#CCOC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H15NO4S/c1-14-4-10-17(11-5-14)24-13-3-2-12-23-18(20)15-6-8-16(9-7-15)19(21)22/h4-11H,12-13H2,1H3