pentyl 5-heptoxy-7-methylsulfinyl-9-oxidanylidene-xanthene-2-carboxylate

Systemtic Name: pentyl 5-heptoxy-7-methylsulfinyl-9-oxidanylidene-xanthene-2-carboxylate Openeye Name: pentyl 5-heptoxy-7-methylsulfinyl-9-oxo-xanthene-2-carboxylate CAS Name: 5-heptoxy-7-methylsulfinyl-9-oxo-2-xanthenecarboxylic acid pentyl ester IUPAC Name: pentyl 5-heptoxy-7-methylsulfinyl-9-oxoxanthene-2-carboxylate Traditional Name: 5-heptoxy-9-keto-7-methylsulfinyl-xanthene-2-carboxylic acid amyl ester Formula: C27H34O6S MolecularWeight: 486.62026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H34O6S/c1-4-6-8-9-11-14-31-24-18-20(34(3)30)17-22-25(28)21-16-19(12-13-23(21)33-26(22)24)27(29)32-15-10-7-5-2/h12-13,16-18H,4-11,14-15H2,1-3H3