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

Systemtic Name: ethyl 7-dodecoxy-5-methylsulfonyl-9-oxidanylidene-xanthene-2-carboxylate Openeye Name: ethyl 7-dodecoxy-5-methylsulfonyl-9-oxo-xanthene-2-carboxylate CAS Name: 7-dodecoxy-5-methylsulfonyl-9-oxo-2-xanthenecarboxylic acid ethyl ester IUPAC Name: ethyl 7-dodecoxy-5-methylsulfonyl-9-oxoxanthene-2-carboxylate Traditional Name: 9-keto-7-lauryloxy-5-mesyl-xanthene-2-carboxylic acid ethyl ester Formula: C29H38O7S MolecularWeight: 530.67282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H38O7S/c1-4-6-7-8-9-10-11-12-13-14-17-35-22-19-24-27(30)23-18-21(29(31)34-5-2)15-16-25(23)36-28(24)26(20-22)37(3,32)33/h15-16,18-20H,4-14,17H2,1-3H3