(3-methyl-6-nitro-9H-carbazol-1-yl) 4-methylbenzenesulfonate

Systemtic Name: (3-methyl-6-nitro-9H-carbazol-1-yl) 4-methylbenzenesulfonate Openeye Name: (3-methyl-6-nitro-9H-carbazol-1-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (3-methyl-6-nitro-9H-carbazol-1-yl) ester IUPAC Name: (3-methyl-6-nitro-9H-carbazol-1-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (3-methyl-6-nitro-9H-carbazol-1-yl) ester Formula: C20H16N2O5S MolecularWeight: 396.41644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C3C(=CC(=C2)C)C4=C(N3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C3C(=CC(=C2)C)C4=C(N3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H16N2O5S/c1-12-3-6-15(7-4-12)28(25,26)27-19-10-13(2)9-17-16-11-14(22(23)24)5-8-18(16)21-20(17)19/h3-11,21H,1-2H3