[8-(2-carboxyphenyl)-5-(ethylamino)-2,6-dimethyl-xanthen-3-ylidene]-ethyl-azanium

Systemtic Name: [8-(2-carboxyphenyl)-5-(ethylamino)-2,6-dimethyl-xanthen-3-ylidene]-ethyl-azanium Openeye Name: [8-(2-carboxyphenyl)-5-(ethylamino)-2,6-dimethyl-xanthen-3-ylidene]-ethyl-ammonium CAS Name: [8-(2-carboxyphenyl)-5-(ethylamino)-2,6-dimethyl-3-xanthenylidene]-ethylammonium IUPAC Name: [8-(2-carboxyphenyl)-5-(ethylamino)-2,6-dimethylxanthen-3-ylidene]-ethylazanium Traditional Name: [8-(2-carboxyphenyl)-5-(ethylamino)-2,6-dimethyl-xanthen-3-ylidene]-ethyl-ammonium Formula: C26H27N2O3+ MolecularWeight: 415.50418

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C(C2=C1OC3=CC(=[NH+]CC)C(=CC3=C2)C)C4=CC=CC=C4C(=O)O)C

Isomeric SMILES

CCNC1=C(C=C(C2=C1OC3=CC(=[NH+]CC)C(=CC3=C2)C)C4=CC=CC=C4C(=O)O)C

InChI

InChI=1S/C26H26N2O3/c1-5-27-22-14-23-17(11-15(22)3)13-21-20(18-9-7-8-10-19(18)26(29)30)12-16(4)24(28-6-2)25(21)31-23/h7-14,28H,5-6H2,1-4H3,(H,29,30)/p+1