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

Systemtic Name: [3-carboxyoxy-2-[3-(ethylamino)-2,7-dimethyl-6-oxidanylidene-xanthen-9-yl]phenyl] hydrogen carbonate Openeye Name: [3-carboxyoxy-2-[3-(ethylamino)-2,7-dimethyl-6-oxo-xanthen-9-yl]phenyl] hydrogen carbonate CAS Name: carbonic acid [3-carboxyoxy-2-[3-(ethylamino)-2,7-dimethyl-6-oxo-9-xanthenyl]phenyl] ester IUPAC Name: [3-carboxyoxy-2-[3-(ethylamino)-2,7-dimethyl-6-oxoxanthen-9-yl]phenyl] hydrogen carbonate Traditional Name: carbonic acid [3-carboxyoxy-2-[3-(ethylamino)-6-keto-2,7-dimethyl-xanthen-9-yl]phenyl] ester Formula: C25H21NO8 MolecularWeight: 463.43614

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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)C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H21NO8/c1-4-26-16-10-20-14(8-12(16)2)22(15-9-13(3)17(27)11-21(15)32-20)23-18(33-24(28)29)6-5-7-19(23)34-25(30)31/h5-11,26H,4H2,1-3H3,(H,28,29)(H,30,31)