3-(3-nitrophenyl)propyl 4-methylbenzenesulfonate

Systemtic Name: 3-(3-nitrophenyl)propyl 4-methylbenzenesulfonate Openeye Name: 3-(3-nitrophenyl)propyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3-(3-nitrophenyl)propyl ester IUPAC Name: 3-(3-nitrophenyl)propyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3-(3-nitrophenyl)propyl ester Formula: C16H17NO5S MolecularWeight: 335.37488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H17NO5S/c1-13-7-9-16(10-8-13)23(20,21)22-11-3-5-14-4-2-6-15(12-14)17(18)19/h2,4,6-10,12H,3,5,11H2,1H3