[9-(2-carboxyphenyl)-6-(ethylamino)-2,7-dimethyl-xanthen-3-ylidene]-ethyl-azanium perchlorate

Systemtic Name: [9-(2-carboxyphenyl)-6-(ethylamino)-2,7-dimethyl-xanthen-3-ylidene]-ethyl-azanium perchlorate Openeye Name: [9-(2-carboxyphenyl)-6-(ethylamino)-2,7-dimethyl-xanthen-3-ylidene]-ethyl-ammonium perchlorate CAS Name: [9-(2-carboxyphenyl)-6-(ethylamino)-2,7-dimethyl-3-xanthenylidene]-ethylammonium perchlorate IUPAC Name: [9-(2-carboxyphenyl)-6-(ethylamino)-2,7-dimethylxanthen-3-ylidene]-ethylazanium perchlorate Traditional Name: [9-(2-carboxyphenyl)-6-(ethylamino)-2,7-dimethyl-xanthen-3-ylidene]-ethyl-ammonium perchlorate Formula: C26H27ClN2O7 MolecularWeight: 514.95478

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C2C(=C1)OC3=CC(=[NH+]CC)C(=CC3=C2C4=CC=CC=C4C(=O)O)C)C.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CCNC1=C(C=C2C(=C1)OC3=CC(=[NH+]CC)C(=CC3=C2C4=CC=CC=C4C(=O)O)C)C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C26H26N2O3.ClHO4/c1-5-27-21-13-23-19(11-15(21)3)25(17-9-7-8-10-18(17)26(29)30)20-12-16(4)22(28-6-2)14-24(20)31-23;2-1(3,4)5/h7-14,27H,5-6H2,1-4H3,(H,29,30);(H,2,3,4,5)