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

Systemtic Name: 2-[2-chloranyl-6-(ethylamino)-7-methyl-3-oxidanylidene-xanthen-9-yl]benzene-1,3-dicarboxylic acid Openeye Name: 2-[2-chloro-6-(ethylamino)-7-methyl-3-oxo-xanthen-9-yl]benzene-1,3-dicarboxylic acid CAS Name: 2-[2-chloro-6-(ethylamino)-7-methyl-3-oxo-9-xanthenyl]benzene-1,3-dicarboxylic acid IUPAC Name: 2-[2-chloro-6-(ethylamino)-7-methyl-3-oxoxanthen-9-yl]benzene-1,3-dicarboxylic acid Traditional Name: 2-[2-chloro-6-(ethylamino)-3-keto-7-methyl-xanthen-9-yl]isophthalic acid Formula: C24H18ClNO6 MolecularWeight: 451.85582

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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)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C24H18ClNO6/c1-3-26-17-9-19-14(7-11(17)2)22(15-8-16(25)18(27)10-20(15)32-19)21-12(23(28)29)5-4-6-13(21)24(30)31/h4-10,26H,3H2,1-2H3,(H,28,29)(H,30,31)