[4-(2-methoxyethyl)phenyl] 2-methyl-3-nitro-benzenesulfonate

Systemtic Name: [4-(2-methoxyethyl)phenyl] 2-methyl-3-nitro-benzenesulfonate Openeye Name: [4-(2-methoxyethyl)phenyl] 2-methyl-3-nitro-benzenesulfonate CAS Name: 2-methyl-3-nitrobenzenesulfonic acid [4-(2-methoxyethyl)phenyl] ester IUPAC Name: [4-(2-methoxyethyl)phenyl] 2-methyl-3-nitrobenzenesulfonate Traditional Name: 2-methyl-3-nitro-benzenesulfonic acid [4-(2-methoxyethyl)phenyl] ester Formula: C16H17NO6S MolecularWeight: 351.37428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1S(=O)(=O)OC2=CC=C(C=C2)CCOC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC=C1S(=O)(=O)OC2=CC=C(C=C2)CCOC)[N+](=O)[O-]

InChI

InChI=1S/C16H17NO6S/c1-12-15(17(18)19)4-3-5-16(12)24(20,21)23-14-8-6-13(7-9-14)10-11-22-2/h3-9H,10-11H2,1-2H3