methyl 2-[3-oxidanylidene-6-(11-oxidanylundecoxy)xanthen-9-yl]benzoate

Systemtic Name: methyl 2-[3-oxidanylidene-6-(11-oxidanylundecoxy)xanthen-9-yl]benzoate Openeye Name: methyl 2-[3-(11-hydroxyundecoxy)-6-oxo-xanthen-9-yl]benzoate CAS Name: 2-[3-(11-hydroxyundecoxy)-6-oxo-9-xanthenyl]benzoic acid methyl ester IUPAC Name: methyl 2-[3-(11-hydroxyundecoxy)-6-oxoxanthen-9-yl]benzoate Traditional Name: 2-[3-(11-hydroxyundecoxy)-6-keto-xanthen-9-yl]benzoic acid methyl ester Formula: C32H36O6 MolecularWeight: 516.62464

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)OCCCCCCCCCCCO

Isomeric SMILES

COC(=O)C1=CC=CC=C1C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)OCCCCCCCCCCCO

InChI

InChI=1S/C32H36O6/c1-36-32(35)26-14-10-9-13-25(26)31-27-17-15-23(34)21-29(27)38-30-22-24(16-18-28(30)31)37-20-12-8-6-4-2-3-5-7-11-19-33/h9-10,13-18,21-22,33H,2-8,11-12,19-20H2,1H3