2-(6-dibutylazaniumylidene-3-methyl-2-phenylazanyl-xanthen-9-yl)benzoate

Systemtic Name: 2-(6-dibutylazaniumylidene-3-methyl-2-phenylazanyl-xanthen-9-yl)benzoate Openeye Name: 2-(2-anilino-6-dibutyliminio-3-methyl-xanthen-9-yl)benzoate CAS Name: 2-(2-anilino-6-dibutyliminio-3-methyl-9-xanthenyl)benzoate IUPAC Name: 2-(2-anilino-6-dibutylazaniumylidene-3-methylxanthen-9-yl)benzoate Traditional Name: 2-(2-anilino-6-dibutyliminio-3-methyl-xanthen-9-yl)benzoate Formula: C35H36N2O3 MolecularWeight: 532.67194

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](=C1C=CC2=C(C3=CC(=C(C=C3OC2=C1)C)NC4=CC=CC=C4)C5=CC=CC=C5C(=O)[O-])CCCC

Isomeric SMILES

CCCC[N+](=C1C=CC2=C(C3=CC(=C(C=C3OC2=C1)C)NC4=CC=CC=C4)C5=CC=CC=C5C(=O)[O-])CCCC

InChI

InChI=1S/C35H36N2O3/c1-4-6-19-37(20-7-5-2)26-17-18-29-33(22-26)40-32-21-24(3)31(36-25-13-9-8-10-14-25)23-30(32)34(29)27-15-11-12-16-28(27)35(38)39/h8-18,21-23,36H,4-7,19-20H2,1-3H3