pentyl 5-methylsulfonyl-7-octoxy-9-oxidanylidene-xanthene-2-carboxylate

Systemtic Name: pentyl 5-methylsulfonyl-7-octoxy-9-oxidanylidene-xanthene-2-carboxylate Openeye Name: pentyl 5-methylsulfonyl-7-octoxy-9-oxo-xanthene-2-carboxylate CAS Name: 5-methylsulfonyl-7-octoxy-9-oxo-2-xanthenecarboxylic acid pentyl ester IUPAC Name: pentyl 5-methylsulfonyl-7-octoxy-9-oxoxanthene-2-carboxylate Traditional Name: 9-keto-5-mesyl-7-octoxy-xanthene-2-carboxylic acid amyl ester Formula: C28H36O7S MolecularWeight: 516.64624

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)OCCCCC)S(=O)(=O)C

Isomeric SMILES

CCCCCCCCOC1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)OCCCCC)S(=O)(=O)C

InChI

InChI=1S/C28H36O7S/c1-4-6-8-9-10-12-15-33-21-18-23-26(29)22-17-20(28(30)34-16-11-7-5-2)13-14-24(22)35-27(23)25(19-21)36(3,31)32/h13-14,17-19H,4-12,15-16H2,1-3H3