[3-carboxyoxy-2-[2-chloranyl-6-(ethylamino)-7-methyl-3-oxidanylidene-xanthen-9-yl]phenyl] hydrogen carbonate

Systemtic Name: [3-carboxyoxy-2-[2-chloranyl-6-(ethylamino)-7-methyl-3-oxidanylidene-xanthen-9-yl]phenyl] hydrogen carbonate Openeye Name: [3-carboxyoxy-2-[2-chloro-6-(ethylamino)-7-methyl-3-oxo-xanthen-9-yl]phenyl] hydrogen carbonate CAS Name: carbonic acid [3-carboxyoxy-2-[2-chloro-6-(ethylamino)-7-methyl-3-oxo-9-xanthenyl]phenyl] ester IUPAC Name: [3-carboxyoxy-2-[2-chloro-6-(ethylamino)-7-methyl-3-oxoxanthen-9-yl]phenyl] hydrogen carbonate Traditional Name: carbonic acid [3-carboxyoxy-2-[2-chloro-6-(ethylamino)-3-keto-7-methyl-xanthen-9-yl]phenyl] ester Formula: C24H18ClNO8 MolecularWeight: 483.85462

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C2C(=C1)OC3=CC(=O)C(=CC3=C2C4=C(C=CC=C4OC(=O)O)OC(=O)O)Cl)C

Isomeric SMILES

CCNC1=C(C=C2C(=C1)OC3=CC(=O)C(=CC3=C2C4=C(C=CC=C4OC(=O)O)OC(=O)O)Cl)C

InChI

InChI=1S/C24H18ClNO8/c1-3-26-15-9-19-12(7-11(15)2)21(13-8-14(25)16(27)10-20(13)32-19)22-17(33-23(28)29)5-4-6-18(22)34-24(30)31/h4-10,26H,3H2,1-2H3,(H,28,29)(H,30,31)