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

Systemtic Name: [9-(2-carboxyphenyl)-6-(diethylamino)-2,7-dimethyl-xanthen-3-ylidene]-diethyl-azanium perchlorate Openeye Name: [9-(2-carboxyphenyl)-6-(diethylamino)-2,7-dimethyl-xanthen-3-ylidene]-diethyl-ammonium perchlorate CAS Name: [9-(2-carboxyphenyl)-6-(diethylamino)-2,7-dimethyl-3-xanthenylidene]-diethylammonium perchlorate IUPAC Name: [9-(2-carboxyphenyl)-6-(diethylamino)-2,7-dimethylxanthen-3-ylidene]-diethylazanium perchlorate Traditional Name: [9-(2-carboxyphenyl)-6-(diethylamino)-2,7-dimethyl-xanthen-3-ylidene]-diethyl-ammonium perchlorate Formula: C30H35ClN2O7 MolecularWeight: 571.0611

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H34N2O3.ClHO4/c1-7-31(8-2)25-17-27-23(15-19(25)5)29(21-13-11-12-14-22(21)30(33)34)24-16-20(6)26(18-28(24)35-27)32(9-3)10-4;2-1(3,4)5/h11-18H,7-10H2,1-6H3;(H,2,3,4,5)