methyl 4-[(5-methyl-1-oxidanyl-9-oxidanylidene-xanthen-3-yl)oxymethyl]benzoate

Systemtic Name: methyl 4-[(5-methyl-1-oxidanyl-9-oxidanylidene-xanthen-3-yl)oxymethyl]benzoate Openeye Name: methyl 4-[(1-hydroxy-5-methyl-9-oxo-xanthen-3-yl)oxymethyl]benzoate CAS Name: 4-[(1-hydroxy-5-methyl-9-oxo-3-xanthenyl)oxymethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(1-hydroxy-5-methyl-9-oxoxanthen-3-yl)oxymethyl]benzoate Traditional Name: 4-[(1-hydroxy-9-keto-5-methyl-xanthen-3-yl)oxymethyl]benzoic acid methyl ester Formula: C23H18O6 MolecularWeight: 390.38542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1OC3=CC(=CC(=C3C2=O)O)OCC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CC1=CC=CC2=C1OC3=CC(=CC(=C3C2=O)O)OCC4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C23H18O6/c1-13-4-3-5-17-21(25)20-18(24)10-16(11-19(20)29-22(13)17)28-12-14-6-8-15(9-7-14)23(26)27-2/h3-11,24H,12H2,1-2H3