[9-[[2,6-bis(chloranyl)phenyl]methyl]-5-chloranyl-6-methyl-8-nitro-1,2,3,4-tetrahydrocarbazol-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [9-[[2,6-bis(chloranyl)phenyl]methyl]-5-chloranyl-6-methyl-8-nitro-1,2,3,4-tetrahydrocarbazol-3-yl] 4-methylbenzenesulfonate Openeye Name: [5-chloro-9-[(2,6-dichlorophenyl)methyl]-6-methyl-8-nitro-1,2,3,4-tetrahydrocarbazol-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [5-chloro-9-[(2,6-dichlorophenyl)methyl]-6-methyl-8-nitro-1,2,3,4-tetrahydrocarbazol-3-yl] ester IUPAC Name: [5-chloro-9-[(2,6-dichlorophenyl)methyl]-6-methyl-8-nitro-1,2,3,4-tetrahydrocarbazol-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [5-chloro-9-(2,6-dichlorobenzyl)-6-methyl-8-nitro-1,2,3,4-tetrahydrocarbazol-3-yl] ester Formula: C27H23Cl3N2O5S MolecularWeight: 593.90592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CCC3=C(C2)C4=C(C(=CC(=C4N3CC5=C(C=CC=C5Cl)Cl)[N+](=O)[O-])C)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2CCC3=C(C2)C4=C(C(=CC(=C4N3CC5=C(C=CC=C5Cl)Cl)[N+](=O)[O-])C)Cl

InChI

InChI=1S/C27H23Cl3N2O5S/c1-15-6-9-18(10-7-15)38(35,36)37-17-8-11-23-19(13-17)25-26(30)16(2)12-24(32(33)34)27(25)31(23)14-20-21(28)4-3-5-22(20)29/h3-7,9-10,12,17H,8,11,13-14H2,1-2H3