4-(4-nitrophenyl)sulfanylbut-2-ynyl 4-methylbenzoate

Systemtic Name: 4-(4-nitrophenyl)sulfanylbut-2-ynyl 4-methylbenzoate Openeye Name: 4-(4-nitrophenyl)sulfanylbut-2-ynyl 4-methylbenzoate CAS Name: 4-methylbenzoic acid 4-[(4-nitrophenyl)thio]but-2-ynyl ester IUPAC Name: 4-(4-nitrophenyl)sulfanylbut-2-ynyl 4-methylbenzoate Traditional Name: 4-methylbenzoic acid 4-[(4-nitrophenyl)thio]but-2-ynyl ester Formula: C18H15NO4S MolecularWeight: 341.381

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OCC#CCSC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OCC#CCSC2=CC=C(C=C2)[N+](=O)[O-]

InChI

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