[6-(diethylamino)-9-(2-methoxycarbonylphenyl)xanthen-3-ylidene]-diethyl-azanium; methyl sulfate

Systemtic Name: [6-(diethylamino)-9-(2-methoxycarbonylphenyl)xanthen-3-ylidene]-diethyl-azanium; methyl sulfate Openeye Name: [6-(diethylamino)-9-(2-methoxycarbonylphenyl)xanthen-3-ylidene]-diethyl-ammonium; methyl sulfate CAS Name: [6-(diethylamino)-9-(2-methoxycarbonylphenyl)-3-xanthenylidene]-diethylammonium; methyl sulfate IUPAC Name: [6-(diethylamino)-9-(2-methoxycarbonylphenyl)xanthen-3-ylidene]-diethylazanium; methyl sulfate Traditional Name: [9-(2-carbomethoxyphenyl)-6-(diethylamino)xanthen-3-ylidene]-diethyl-ammonium; methyl sulfate Formula: C30H36N2O7S MolecularWeight: 568.68104

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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)OC.COS(=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)OC.COS(=O)(=O)[O-]

InChI

InChI=1S/C29H33N2O3.CH4O4S/c1-6-30(7-2)20-14-16-24-26(18-20)34-27-19-21(31(8-3)9-4)15-17-25(27)28(24)22-12-10-11-13-23(22)29(32)33-5;1-5-6(2,3)4/h10-19H,6-9H2,1-5H3;1H3,(H,2,3,4)/q+1;/p-1