[1-(6-methoxy-3,5-dimethyl-4-oxidanylidene-pyran-2-yl)-3-methyl-3-(phenylsulfonyl)undecan-2-yl] ethanoate

Systemtic Name: [1-(6-methoxy-3,5-dimethyl-4-oxidanylidene-pyran-2-yl)-3-methyl-3-(phenylsulfonyl)undecan-2-yl] ethanoate Openeye Name: [2-(benzenesulfonyl)-1-[(6-methoxy-3,5-dimethyl-4-oxo-pyran-2-yl)methyl]-2-methyl-decyl] acetate CAS Name: acetic acid [3-(benzenesulfonyl)-1-(6-methoxy-3,5-dimethyl-4-oxo-2-pyranyl)-3-methylundecan-2-yl] ester IUPAC Name: [3-(benzenesulfonyl)-1-(6-methoxy-3,5-dimethyl-4-oxopyran-2-yl)-3-methylundecan-2-yl] acetate Traditional Name: acetic acid [2-besyl-1-[(4-keto-6-methoxy-3,5-dimethyl-pyran-2-yl)methyl]-2-methyl-decyl] ester Formula: C28H40O7S MolecularWeight: 520.678

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C)(C(CC1=C(C(=O)C(=C(O1)OC)C)C)OC(=O)C)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCC(C)(C(CC1=C(C(=O)C(=C(O1)OC)C)C)OC(=O)C)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C28H40O7S/c1-7-8-9-10-11-15-18-28(5,36(31,32)23-16-13-12-14-17-23)25(34-22(4)29)19-24-20(2)26(30)21(3)27(33-6)35-24/h12-14,16-17,25H,7-11,15,18-19H2,1-6H3