3-(4-nitrophenyl)prop-2-ynyl 4-methylbenzenesulfonate

Systemtic Name: 3-(4-nitrophenyl)prop-2-ynyl 4-methylbenzenesulfonate Openeye Name: 3-(4-nitrophenyl)prop-2-ynyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3-(4-nitrophenyl)prop-2-ynyl ester IUPAC Name: 3-(4-nitrophenyl)prop-2-ynyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3-(4-nitrophenyl)prop-2-ynyl ester Formula: C16H13NO5S MolecularWeight: 331.34312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC#CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC#CC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H13NO5S/c1-13-4-10-16(11-5-13)23(20,21)22-12-2-3-14-6-8-15(9-7-14)17(18)19/h4-11H,12H2,1H3