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

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

Systemtic Name:ethyl-[6-(ethylamino)-9-(2-methoxycarbonylphenyl)-2,7-dimethyl-xanthen-3-ylidene]azanium chloride
Openeye Name:ethyl-[6-(ethylamino)-9-(2-methoxycarbonylphenyl)-2,7-dimethyl-xanthen-3-ylidene]ammonium chloride
CAS Name:ethyl-[6-(ethylamino)-9-(2-methoxycarbonylphenyl)-2,7-dimethyl-3-xanthenylidene]ammonium chloride
IUPAC Name:ethyl-[6-(ethylamino)-9-(2-methoxycarbonylphenyl)-2,7-dimethylxanthen-3-ylidene]azanium chloride
Traditional Name:[9-(2-carbomethoxyphenyl)-6-(ethylamino)-2,7-dimethyl-xanthen-3-ylidene]-ethyl-ammonium chloride
Formula: C27H29ClN2O3
MolecularWeight: 464.98376
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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)OC)C)C.[Cl-]


Isomeric SMILES

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


InChI

InChI=1S/C27H28N2O3.ClH/c1-6-28-22-14-24-20(12-16(22)3)26(18-10-8-9-11-19(18)27(30)31-5)21-13-17(4)23(29-7-2)15-25(21)32-24;/h8-15,28H,6-7H2,1-5H3;1H


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