methyl 2-[(2-methyl-1-octyl-indol-1-ium-3-ylidene)-(2-methyl-1-octyl-indol-3-yl)methyl]benzoate

Systemtic Name: methyl 2-[(2-methyl-1-octyl-indol-1-ium-3-ylidene)-(2-methyl-1-octyl-indol-3-yl)methyl]benzoate Openeye Name: methyl 2-[(2-methyl-1-octyl-indol-1-ium-3-ylidene)-(2-methyl-1-octyl-indol-3-yl)methyl]benzoate CAS Name: 2-[(2-methyl-1-octyl-3-indol-1-iumylidene)-(2-methyl-1-octyl-3-indolyl)methyl]benzoic acid methyl ester IUPAC Name: methyl 2-[(2-methyl-1-octylindol-1-ium-3-ylidene)-(2-methyl-1-octylindol-3-yl)methyl]benzoate Traditional Name: 2-[(2-methyl-1-octyl-indol-1-ium-3-ylidene)-(2-methyl-1-octyl-indol-3-yl)methyl]benzoic acid methyl ester Formula: C43H55N2O2+ MolecularWeight: 631.909

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=C(C2=CC=CC=C21)C(=C3C(=[N+](C4=CC=CC=C43)CCCCCCCC)C)C5=CC=CC=C5C(=O)OC)C

Isomeric SMILES

CCCCCCCCN1C(=C(C2=CC=CC=C21)C(=C3C(=[N+](C4=CC=CC=C43)CCCCCCCC)C)C5=CC=CC=C5C(=O)OC)C

InChI

InChI=1S/C43H55N2O2/c1-6-8-10-12-14-22-30-44-32(3)40(36-26-18-20-28-38(36)44)42(34-24-16-17-25-35(34)43(46)47-5)41-33(4)45(31-23-15-13-11-9-7-2)39-29-21-19-27-37(39)41/h16-21,24-29H,6-15,22-23,30-31H2,1-5H3/q+1