methyl 7-dodecoxy-5-methylsulfinyl-9-oxidanylidene-xanthene-2-carboxylate

Systemtic Name: methyl 7-dodecoxy-5-methylsulfinyl-9-oxidanylidene-xanthene-2-carboxylate Openeye Name: methyl 7-dodecoxy-5-methylsulfinyl-9-oxo-xanthene-2-carboxylate CAS Name: 7-dodecoxy-5-methylsulfinyl-9-oxo-2-xanthenecarboxylic acid methyl ester IUPAC Name: methyl 7-dodecoxy-5-methylsulfinyl-9-oxoxanthene-2-carboxylate Traditional Name: 9-keto-7-lauryloxy-5-methylsulfinyl-xanthene-2-carboxylic acid methyl ester Formula: C28H36O6S MolecularWeight: 500.64684

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)OC)S(=O)C

Isomeric SMILES

CCCCCCCCCCCCOC1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)OC)S(=O)C

InChI

InChI=1S/C28H36O6S/c1-4-5-6-7-8-9-10-11-12-13-16-33-21-18-23-26(29)22-17-20(28(30)32-2)14-15-24(22)34-27(23)25(19-21)35(3)31/h14-15,17-19H,4-13,16H2,1-3H3