[6-(diethylamino)-9-(2-ethoxycarbonylphenyl)xanthen-3-ylidene]-diethyl-azanium perchlorate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=CC=CC=C4C(=O)OCC.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=CC=CC=C4C(=O)OCC.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C30H35N2O3.ClHO4/c1-6-31(7-2)21-15-17-25-27(19-21)35-28-20-22(32(8-3)9-4)16-18-26(28)29(25)23-13-11-12-14-24(23)30(33)34-10-5;2-1(3,4)5/h11-20H,6-10H2,1-5H3;(H,2,3,4,5)/q+1;/p-1