[9-(2-carboxy-5-methyl-phenyl)-6-(diethylamino)xanthen-3-ylidene]-diethyl-azanium

Systemtic Name: [9-(2-carboxy-5-methyl-phenyl)-6-(diethylamino)xanthen-3-ylidene]-diethyl-azanium Openeye Name: [9-(2-carboxy-5-methyl-phenyl)-6-(diethylamino)xanthen-3-ylidene]-diethyl-ammonium CAS Name: [9-(2-carboxy-5-methylphenyl)-6-(diethylamino)-3-xanthenylidene]-diethylammonium IUPAC Name: [9-(2-carboxy-5-methylphenyl)-6-(diethylamino)xanthen-3-ylidene]-diethylazanium Traditional Name: [9-(2-carboxy-5-methyl-phenyl)-6-(diethylamino)xanthen-3-ylidene]-diethyl-ammonium Formula: C29H33N2O3+ MolecularWeight: 457.58392

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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=C(C=CC(=C4)C)C(=O)O

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=C(C=CC(=C4)C)C(=O)O

InChI

InChI=1S/C29H32N2O3/c1-6-30(7-2)20-11-14-23-26(17-20)34-27-18-21(31(8-3)9-4)12-15-24(27)28(23)25-16-19(5)10-13-22(25)29(32)33/h10-18H,6-9H2,1-5H3/p+1