(8-ethyl-9-hexyl-1,2,3,4-tetrahydrocarbazol-3-yl) (4-nitrophenyl)methanesulfonate

Systemtic Name: (8-ethyl-9-hexyl-1,2,3,4-tetrahydrocarbazol-3-yl) (4-nitrophenyl)methanesulfonate Openeye Name: (8-ethyl-9-hexyl-1,2,3,4-tetrahydrocarbazol-3-yl) (4-nitrophenyl)methanesulfonate CAS Name: (4-nitrophenyl)methanesulfonic acid (8-ethyl-9-hexyl-1,2,3,4-tetrahydrocarbazol-3-yl) ester IUPAC Name: (8-ethyl-9-hexyl-1,2,3,4-tetrahydrocarbazol-3-yl) (4-nitrophenyl)methanesulfonate Traditional Name: (4-nitrophenyl)methanesulfonic acid (8-ethyl-9-hexyl-1,2,3,4-tetrahydrocarbazol-3-yl) ester Formula: C27H34N2O5S MolecularWeight: 498.63426

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(CC(CC2)OS(=O)(=O)CC3=CC=C(C=C3)[N+](=O)[O-])C4=C1C(=CC=C4)CC

Isomeric SMILES

CCCCCCN1C2=C(CC(CC2)OS(=O)(=O)CC3=CC=C(C=C3)[N+](=O)[O-])C4=C1C(=CC=C4)CC

InChI

InChI=1S/C27H34N2O5S/c1-3-5-6-7-17-28-26-16-15-23(18-25(26)24-10-8-9-21(4-2)27(24)28)34-35(32,33)19-20-11-13-22(14-12-20)29(30)31/h8-14,23H,3-7,15-19H2,1-2H3