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

Systemtic Name: [9-(2-carboxyphenyl)-6-(ethylamino)-2,7-dimethyl-xanthen-3-ylidene]-diethyl-azanium Openeye Name: [9-(2-carboxyphenyl)-6-(ethylamino)-2,7-dimethyl-xanthen-3-ylidene]-diethyl-ammonium CAS Name: [9-(2-carboxyphenyl)-6-(ethylamino)-2,7-dimethyl-3-xanthenylidene]-diethylammonium IUPAC Name: [9-(2-carboxyphenyl)-6-(ethylamino)-2,7-dimethylxanthen-3-ylidene]-diethylazanium Traditional Name: [9-(2-carboxyphenyl)-6-(ethylamino)-2,7-dimethyl-xanthen-3-ylidene]-diethyl-ammonium Formula: C28H31N2O3+ MolecularWeight: 443.55734

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C2C(=C1)OC3=CC(=[N+](CC)CC)C(=CC3=C2C4=CC=CC=C4C(=O)O)C)C

Isomeric SMILES

CCNC1=C(C=C2C(=C1)OC3=CC(=[N+](CC)CC)C(=CC3=C2C4=CC=CC=C4C(=O)O)C)C

InChI

InChI=1S/C28H30N2O3/c1-6-29-23-15-25-21(13-17(23)4)27(19-11-9-10-12-20(19)28(31)32)22-14-18(5)24(16-26(22)33-25)30(7-2)8-3/h9-16H,6-8H2,1-5H3,(H,31,32)/p+1