methyl 3-[(E)-6-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-2-(2-methoxycarbonyloxy-4-oxidanylidene-7-sulfanylidene-6H-chromen-3-yl)-1-oxidanyl-hex-3-enyl]benzoate

Systemtic Name: methyl 3-[(E)-6-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-2-(2-methoxycarbonyloxy-4-oxidanylidene-7-sulfanylidene-6H-chromen-3-yl)-1-oxidanyl-hex-3-enyl]benzoate Openeye Name: methyl 3-[(E)-6-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-1-hydroxy-2-(2-methoxycarbonyloxy-4-oxo-7-thioxo-6H-chromen-3-yl)hex-3-enyl]benzoate CAS Name: 3-[(E)-6-(4-acetyl-3-hydroxy-2-propylphenoxy)-1-hydroxy-2-(2-methoxycarbonyloxy-4-oxo-7-sulfanylidene-6H-1-benzopyran-3-yl)hex-3-enyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(E)-6-(4-acetyl-3-hydroxy-2-propylphenoxy)-1-hydroxy-2-(2-methoxycarbonyloxy-4-oxo-7-sulfanylidene-6H-chromen-3-yl)hex-3-enyl]benzoate Traditional Name: 3-[(E)-6-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2-(2-carbomethoxyoxy-4-keto-7-thioxo-6H-chromen-3-yl)-1-hydroxy-hex-3-enyl]benzoic acid methyl ester Formula: C36H36O11S MolecularWeight: 676.72944

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCC=CC(C2=C(OC3=CC(=S)CC=C3C2=O)OC(=O)OC)C(C4=CC=CC(=C4)C(=O)OC)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCC/C=C/C(C2=C(OC3=CC(=S)CC=C3C2=O)OC(=O)OC)C(C4=CC=CC(=C4)C(=O)OC)O

InChI

InChI=1S/C36H36O11S/c1-5-9-25-28(16-15-24(20(2)37)32(25)39)45-17-7-6-12-27(31(38)21-10-8-11-22(18-21)34(41)43-3)30-33(40)26-14-13-23(48)19-29(26)46-35(30)47-36(42)44-4/h6,8,10-12,14-16,18-19,27,31,38-39H,5,7,9,13,17H2,1-4H3/b12-6+