[2,4-bis(chloranyl)-6-nitro-phenyl] 3,5-dimethyl-4-oxidanyl-benzenesulfonate

Systemtic Name: [2,4-bis(chloranyl)-6-nitro-phenyl] 3,5-dimethyl-4-oxidanyl-benzenesulfonate Openeye Name: (2,4-dichloro-6-nitro-phenyl) 4-hydroxy-3,5-dimethyl-benzenesulfonate CAS Name: 4-hydroxy-3,5-dimethylbenzenesulfonic acid (2,4-dichloro-6-nitrophenyl) ester IUPAC Name: (2,4-dichloro-6-nitrophenyl) 4-hydroxy-3,5-dimethylbenzenesulfonate Traditional Name: 4-hydroxy-3,5-dimethyl-benzenesulfonic acid (2,4-dichloro-6-nitro-phenyl) ester Formula: C14H11Cl2NO6S MolecularWeight: 392.21124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)S(=O)(=O)OC2=C(C=C(C=C2[N+](=O)[O-])Cl)Cl

Isomeric SMILES

CC1=CC(=CC(=C1O)C)S(=O)(=O)OC2=C(C=C(C=C2[N+](=O)[O-])Cl)Cl

InChI

InChI=1S/C14H11Cl2NO6S/c1-7-3-10(4-8(2)13(7)18)24(21,22)23-14-11(16)5-9(15)6-12(14)17(19)20/h3-6,18H,1-2H3