[9-(5-carboxy-2-ethoxycarbonyl-phenyl)-6-(ethylamino)-2,7-dimethyl-xanthen-3-ylidene]-ethyl-azanium chloride

Systemtic Name: [9-(5-carboxy-2-ethoxycarbonyl-phenyl)-6-(ethylamino)-2,7-dimethyl-xanthen-3-ylidene]-ethyl-azanium chloride Openeye Name: [9-(5-carboxy-2-ethoxycarbonyl-phenyl)-6-(ethylamino)-2,7-dimethyl-xanthen-3-ylidene]-ethyl-ammonium chloride CAS Name: [9-(5-carboxy-2-ethoxycarbonylphenyl)-6-(ethylamino)-2,7-dimethyl-3-xanthenylidene]-ethylammonium chloride IUPAC Name: [9-(5-carboxy-2-ethoxycarbonylphenyl)-6-(ethylamino)-2,7-dimethylxanthen-3-ylidene]-ethylazanium chloride Traditional Name: [9-(2-carbethoxy-5-carboxy-phenyl)-6-(ethylamino)-2,7-dimethyl-xanthen-3-ylidene]-ethyl-ammonium chloride Formula: C29H31ClN2O5 MolecularWeight: 523.01984

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C2C(=C1)OC3=CC(=[NH+]CC)C(=CC3=C2C4=C(C=CC(=C4)C(=O)O)C(=O)OCC)C)C.[Cl-]

Isomeric SMILES

CCNC1=C(C=C2C(=C1)OC3=CC(=[NH+]CC)C(=CC3=C2C4=C(C=CC(=C4)C(=O)O)C(=O)OCC)C)C.[Cl-]

InChI

InChI=1S/C29H30N2O5.ClH/c1-6-30-23-14-25-21(11-16(23)4)27(22-12-17(5)24(31-7-2)15-26(22)36-25)20-13-18(28(32)33)9-10-19(20)29(34)35-8-3;/h9-15,30H,6-8H2,1-5H3,(H,32,33);1H