methyl 5-heptoxy-7-methylsulfonyl-9-oxidanylidene-xanthene-2-carboxylate

Systemtic Name: methyl 5-heptoxy-7-methylsulfonyl-9-oxidanylidene-xanthene-2-carboxylate Openeye Name: methyl 5-heptoxy-7-methylsulfonyl-9-oxo-xanthene-2-carboxylate CAS Name: 5-heptoxy-7-methylsulfonyl-9-oxo-2-xanthenecarboxylic acid methyl ester IUPAC Name: methyl 5-heptoxy-7-methylsulfonyl-9-oxoxanthene-2-carboxylate Traditional Name: 5-heptoxy-9-keto-7-mesyl-xanthene-2-carboxylic acid methyl ester Formula: C23H26O7S MolecularWeight: 446.51334

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=C2C(=CC(=C1)S(=O)(=O)C)C(=O)C3=C(O2)C=CC(=C3)C(=O)OC

Isomeric SMILES

CCCCCCCOC1=C2C(=CC(=C1)S(=O)(=O)C)C(=O)C3=C(O2)C=CC(=C3)C(=O)OC

InChI

InChI=1S/C23H26O7S/c1-4-5-6-7-8-11-29-20-14-16(31(3,26)27)13-18-21(24)17-12-15(23(25)28-2)9-10-19(17)30-22(18)20/h9-10,12-14H,4-8,11H2,1-3H3