[4-nitro-2-[oxidanyl(phenyl)methyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-nitro-2-[oxidanyl(phenyl)methyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [2-[hydroxy(phenyl)methyl]-4-nitro-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-[hydroxy(phenyl)methyl]-4-nitrophenyl] ester IUPAC Name: [2-[hydroxy(phenyl)methyl]-4-nitrophenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-[hydroxy(phenyl)methyl]-4-nitro-phenyl] ester Formula: C20H17NO6S MolecularWeight: 399.41708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)[N+](=O)[O-])C(C3=CC=CC=C3)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)[N+](=O)[O-])C(C3=CC=CC=C3)O

InChI

InChI=1S/C20H17NO6S/c1-14-7-10-17(11-8-14)28(25,26)27-19-12-9-16(21(23)24)13-18(19)20(22)15-5-3-2-4-6-15/h2-13,20,22H,1H3