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

Systemtic Name: [8-acetyloxy-4-[(E)-7,7-dimethyl-1-(phenylsulfonyl)oct-3-en-5-ynyl]-2-oxidanylidene-chromen-7-yl] ethanoate Openeye Name: [8-acetoxy-4-[(E)-1-(benzenesulfonyl)-7,7-dimethyl-oct-3-en-5-ynyl]-2-oxo-chromen-7-yl] acetate CAS Name: acetic acid [8-acetyloxy-4-[(E)-1-(benzenesulfonyl)-7,7-dimethyloct-3-en-5-ynyl]-2-oxo-1-benzopyran-7-yl] ester IUPAC Name: [8-acetyloxy-4-[(E)-1-(benzenesulfonyl)-7,7-dimethyloct-3-en-5-ynyl]-2-oxochromen-7-yl] acetate Traditional Name: acetic acid [8-acetoxy-4-[(E)-1-besyl-7,7-dimethyl-oct-3-en-5-ynyl]-2-keto-chromen-7-yl] ester Formula: C29H28O8S MolecularWeight: 536.59282

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C2=C(C=C1)C(=CC(=O)O2)C(CC=CC#CC(C)(C)C)S(=O)(=O)C3=CC=CC=C3)OC(=O)C

Isomeric SMILES

CC(=O)OC1=C(C2=C(C=C1)C(=CC(=O)O2)C(C/C=C/C#CC(C)(C)C)S(=O)(=O)C3=CC=CC=C3)OC(=O)C

InChI

InChI=1S/C29H28O8S/c1-19(30)35-24-16-15-22-23(18-26(32)37-27(22)28(24)36-20(2)31)25(14-10-7-11-17-29(3,4)5)38(33,34)21-12-8-6-9-13-21/h6-10,12-13,15-16,18,25H,14H2,1-5H3/b10-7+