2-[3-(ethylamino)-2,7-dimethyl-6-oxidanylidene-xanthen-9-yl]benzene-1,3-dicarboxylic acid

Systemtic Name: 2-[3-(ethylamino)-2,7-dimethyl-6-oxidanylidene-xanthen-9-yl]benzene-1,3-dicarboxylic acid Openeye Name: 2-[3-(ethylamino)-2,7-dimethyl-6-oxo-xanthen-9-yl]benzene-1,3-dicarboxylic acid CAS Name: 2-[3-(ethylamino)-2,7-dimethyl-6-oxo-9-xanthenyl]benzene-1,3-dicarboxylic acid IUPAC Name: 2-[3-(ethylamino)-2,7-dimethyl-6-oxoxanthen-9-yl]benzene-1,3-dicarboxylic acid Traditional Name: 2-[3-(ethylamino)-6-keto-2,7-dimethyl-xanthen-9-yl]isophthalic acid Formula: C25H21NO6 MolecularWeight: 431.43734

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C2C(=C1)OC3=CC(=O)C(=CC3=C2C4=C(C=CC=C4C(=O)O)C(=O)O)C)C

Isomeric SMILES

CCNC1=C(C=C2C(=C1)OC3=CC(=O)C(=CC3=C2C4=C(C=CC=C4C(=O)O)C(=O)O)C)C

InChI

InChI=1S/C25H21NO6/c1-4-26-18-10-20-16(8-12(18)2)23(17-9-13(3)19(27)11-21(17)32-20)22-14(24(28)29)6-5-7-15(22)25(30)31/h5-11,26H,4H2,1-3H3,(H,28,29)(H,30,31)