hexamethyl 9-cyclohexyl-8-(cyclohexylamino)-9-azoniaspiro[4.4]nona-1,3,6,8-tetraene-1,2,3,4,6,7-hexacarboxylate

Systemtic Name: hexamethyl 9-cyclohexyl-8-(cyclohexylamino)-9-azoniaspiro[4.4]nona-1,3,6,8-tetraene-1,2,3,4,6,7-hexacarboxylate Openeye Name: hexamethyl 9-cyclohexyl-8-(cyclohexylamino)-9-azoniaspiro[4.4]nona-1,3,6,8-tetraene-1,2,3,4,6,7-hexacarboxylate CAS Name: 9-cyclohexyl-8-(cyclohexylamino)-9-azoniaspiro[4.4]nona-1,3,6,8-tetraene-1,2,3,4,6,7-hexacarboxylic acid hexamethyl ester IUPAC Name: hexamethyl 9-cyclohexyl-8-(cyclohexylamino)-9-azoniaspiro[4.4]nona-1,3,6,8-tetraene-1,2,3,4,6,7-hexacarboxylate Traditional Name: 9-cyclohexyl-8-(cyclohexylamino)-9-azoniaspiro[4.4]nona-1,3,6,8-tetraene-1,2,3,4,6,7-hexacarboxylic acid hexamethyl ester Formula: C32H41N2O12+ MolecularWeight: 645.67414

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2(C(=C1C(=O)OC)C(=O)OC)C(=C(C(=[N+]2C3CCCCC3)NC4CCCCC4)C(=O)OC)C(=O)OC)C(=O)OC

Isomeric SMILES

COC(=O)C1=C(C2(C(=C1C(=O)OC)C(=O)OC)C(=C(C(=[N+]2C3CCCCC3)NC4CCCCC4)C(=O)OC)C(=O)OC)C(=O)OC

InChI

InChI=1S/C32H40N2O12/c1-41-26(35)19-20(27(36)42-2)23(30(39)45-5)32(22(19)29(38)44-4)24(31(40)46-6)21(28(37)43-3)25(33-17-13-9-7-10-14-17)34(32)18-15-11-8-12-16-18/h17-18H,7-16H2,1-6H3/p+1