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

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

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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)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C28H36O7S/c1-4-5-6-7-8-9-10-11-12-13-16-34-21-18-23-26(29)22-17-20(28(30)33-2)14-15-24(22)35-27(23)25(19-21)36(3,31)32/h14-15,17-19H,4-13,16H2,1-3H3