dibutyl-[9-(2-carboxyphenyl)-6-methyl-7-phenylazanyl-xanthen-3-ylidene]azanium

Systemtic Name: dibutyl-[9-(2-carboxyphenyl)-6-methyl-7-phenylazanyl-xanthen-3-ylidene]azanium Openeye Name: [7-anilino-9-(2-carboxyphenyl)-6-methyl-xanthen-3-ylidene]-dibutyl-ammonium CAS Name: [7-anilino-9-(2-carboxyphenyl)-6-methyl-3-xanthenylidene]-dibutylammonium IUPAC Name: [7-anilino-9-(2-carboxyphenyl)-6-methylxanthen-3-ylidene]-dibutylazanium Traditional Name: [7-anilino-9-(2-carboxyphenyl)-6-methyl-xanthen-3-ylidene]-dibutyl-ammonium Formula: C35H37N2O3+ MolecularWeight: 533.67988

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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/p+1