[6-azanyl-9-(2-methoxycarbonylphenyl)xanthen-3-ylidene]azanium; platinum(2+); tetrachloride

Systemtic Name: [6-azanyl-9-(2-methoxycarbonylphenyl)xanthen-3-ylidene]azanium; platinum(2+); tetrachloride Openeye Name: [6-amino-9-(2-methoxycarbonylphenyl)xanthen-3-ylidene]ammonium; platinum(2+); tetrachloride CAS Name: [6-amino-9-(2-methoxycarbonylphenyl)-3-xanthenylidene]ammonium; platinum(2+); tetrachloride IUPAC Name: [6-amino-9-(2-methoxycarbonylphenyl)xanthen-3-ylidene]azanium; platinum(2+); tetrachloride Traditional Name: [6-amino-9-(2-carbomethoxyphenyl)xanthen-3-ylidene]ammonium; platinum(2+); tetrachloride Formula: C42H34Cl4N4O6Pt MolecularWeight: 1027.63256

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C2=C3C=CC(=[NH2+])C=C3OC4=C2C=CC(=C4)N.COC(=O)C1=CC=CC=C1C2=C3C=CC(=[NH2+])C=C3OC4=C2C=CC(=C4)N.[Cl-].[Cl-].[Cl-].[Cl-].[Pt+2]

Isomeric SMILES

COC(=O)C1=CC=CC=C1C2=C3C=CC(=[NH2+])C=C3OC4=C2C=CC(=C4)N.COC(=O)C1=CC=CC=C1C2=C3C=CC(=[NH2+])C=C3OC4=C2C=CC(=C4)N.[Cl-].[Cl-].[Cl-].[Cl-].[Pt+2]

InChI

InChI=1S/2C21H16N2O3.4ClH.Pt/c2*1-25-21(24)15-5-3-2-4-14(15)20-16-8-6-12(22)10-18(16)26-19-11-13(23)7-9-17(19)20;;;;;/h2*2-11,22H,23H2,1H3;4*1H;/q;;;;;;+2/p-2