[9-phenethyl-6-(phenylmethyl)-1,2,3,4-tetrahydrocarbazol-3-yl] 3,4,5-trimethoxybenzenesulfonate

Systemtic Name: [9-phenethyl-6-(phenylmethyl)-1,2,3,4-tetrahydrocarbazol-3-yl] 3,4,5-trimethoxybenzenesulfonate Openeye Name: (6-benzyl-9-phenethyl-1,2,3,4-tetrahydrocarbazol-3-yl) 3,4,5-trimethoxybenzenesulfonate CAS Name: 3,4,5-trimethoxybenzenesulfonic acid [9-phenethyl-6-(phenylmethyl)-1,2,3,4-tetrahydrocarbazol-3-yl] ester IUPAC Name: (6-benzyl-9-phenethyl-1,2,3,4-tetrahydrocarbazol-3-yl) 3,4,5-trimethoxybenzenesulfonate Traditional Name: 3,4,5-trimethoxybenzenesulfonic acid (6-benzyl-9-phenethyl-1,2,3,4-tetrahydrocarbazol-3-yl) ester Formula: C36H37NO6S MolecularWeight: 611.74708

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)S(=O)(=O)OC2CCC3=C(C2)C4=C(N3CCC5=CC=CC=C5)C=CC(=C4)CC6=CC=CC=C6

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)S(=O)(=O)OC2CCC3=C(C2)C4=C(N3CCC5=CC=CC=C5)C=CC(=C4)CC6=CC=CC=C6

InChI

InChI=1S/C36H37NO6S/c1-40-34-23-29(24-35(41-2)36(34)42-3)44(38,39)43-28-15-17-33-31(22-28)30-21-27(20-26-12-8-5-9-13-26)14-16-32(30)37(33)19-18-25-10-6-4-7-11-25/h4-14,16,21,23-24,28H,15,17-20,22H2,1-3H3