6-[methyl-[2-(3-phenylazaniumylidene-6-phenylazanyl-xanthen-9-yl)phenyl]carbonyl-amino]hexan-1-olate

Systemtic Name: 6-[methyl-[2-(3-phenylazaniumylidene-6-phenylazanyl-xanthen-9-yl)phenyl]carbonyl-amino]hexan-1-olate Openeye Name: 6-[[2-(3-anilino-6-phenyliminio-xanthen-9-yl)benzoyl]-methyl-amino]hexan-1-olate CAS Name: 6-[[[2-(3-anilino-6-phenyliminio-9-xanthenyl)phenyl]-oxomethyl]-methylamino]-1-hexanolate IUPAC Name: 6-[[2-(3-anilino-6-phenylazaniumylidenexanthen-9-yl)benzoyl]-methylamino]hexan-1-olate Traditional Name: 6-[[2-(3-anilino-6-phenyliminio-xanthen-9-yl)benzoyl]-methyl-amino]hexan-1-olate Formula: C39H37N3O3 MolecularWeight: 595.72938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCCCCC[O-])C(=O)C1=CC=CC=C1C2=C3C=CC(=[NH+]C4=CC=CC=C4)C=C3OC5=C2C=CC(=C5)NC6=CC=CC=C6

Isomeric SMILES

CN(CCCCCC[O-])C(=O)C1=CC=CC=C1C2=C3C=CC(=[NH+]C4=CC=CC=C4)C=C3OC5=C2C=CC(=C5)NC6=CC=CC=C6

InChI

InChI=1S/C39H36N3O3/c1-42(24-12-2-3-13-25-43)39(44)33-19-11-10-18-32(33)38-34-22-20-30(40-28-14-6-4-7-15-28)26-36(34)45-37-27-31(21-23-35(37)38)41-29-16-8-5-9-17-29/h4-11,14-23,26-27,40H,2-3,12-13,24-25H2,1H3/q-1/p+1