[4-[(E)-7,7-dimethyl-1-(phenylsulfonyl)oct-3-en-5-ynyl]-2-oxidanylidene-chromen-7-yl] ethanoate

Systemtic Name: [4-[(E)-7,7-dimethyl-1-(phenylsulfonyl)oct-3-en-5-ynyl]-2-oxidanylidene-chromen-7-yl] ethanoate Openeye Name: [4-[(E)-1-(benzenesulfonyl)-7,7-dimethyl-oct-3-en-5-ynyl]-2-oxo-chromen-7-yl] acetate CAS Name: acetic acid [4-[(E)-1-(benzenesulfonyl)-7,7-dimethyloct-3-en-5-ynyl]-2-oxo-1-benzopyran-7-yl] ester IUPAC Name: [4-[(E)-1-(benzenesulfonyl)-7,7-dimethyloct-3-en-5-ynyl]-2-oxochromen-7-yl] acetate Traditional Name: acetic acid [4-[(E)-1-besyl-7,7-dimethyl-oct-3-en-5-ynyl]-2-keto-chromen-7-yl] ester Formula: C27H26O6S MolecularWeight: 478.55674

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC2=C(C=C1)C(=CC(=O)O2)C(CC=CC#CC(C)(C)C)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(=O)OC1=CC2=C(C=C1)C(=CC(=O)O2)C(C/C=C/C#CC(C)(C)C)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C27H26O6S/c1-19(28)32-20-14-15-22-23(18-26(29)33-24(22)17-20)25(13-9-6-10-16-27(2,3)4)34(30,31)21-11-7-5-8-12-21/h5-9,11-12,14-15,17-18,25H,13H2,1-4H3/b9-6+