[3-[(E)-12-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-5-oxidanyl-dodec-7-en-6-yl]-4-oxidanylidene-7-sulfanylidene-6H-chromen-2-yl] methyl carbonate

Systemtic Name: [3-[(E)-12-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-5-oxidanyl-dodec-7-en-6-yl]-4-oxidanylidene-7-sulfanylidene-6H-chromen-2-yl] methyl carbonate Openeye Name: [3-[(E)-7-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-1-(1-hydroxypentyl)hept-2-enyl]-4-oxo-7-thioxo-6H-chromen-2-yl] methyl carbonate CAS Name: carbonic acid [3-[(E)-12-(4-acetyl-3-hydroxy-2-propylphenoxy)-5-hydroxydodec-7-en-6-yl]-4-oxo-7-sulfanylidene-6H-1-benzopyran-2-yl] methyl ester IUPAC Name: [3-[(E)-12-(4-acetyl-3-hydroxy-2-propylphenoxy)-5-hydroxydodec-7-en-6-yl]-4-oxo-7-sulfanylidene-6H-chromen-2-yl] methyl carbonate Traditional Name: carbonic acid [3-[(E)-7-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-1-(1-hydroxypentyl)hept-2-enyl]-4-keto-7-thioxo-6H-chromen-2-yl] methyl ester Formula: C34H42O9S MolecularWeight: 626.75688

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(C=CCCCCOC1=C(C(=C(C=C1)C(=O)C)O)CCC)C2=C(OC3=CC(=S)CC=C3C2=O)OC(=O)OC)O

Isomeric SMILES

CCCCC(C(/C=C/CCCCOC1=C(C(=C(C=C1)C(=O)C)O)CCC)C2=C(OC3=CC(=S)CC=C3C2=O)OC(=O)OC)O

InChI

InChI=1S/C34H42O9S/c1-5-7-14-27(36)24(30-32(38)26-16-15-22(44)20-29(26)42-33(30)43-34(39)40-4)13-10-8-9-11-19-41-28-18-17-23(21(3)35)31(37)25(28)12-6-2/h10,13,16-18,20,24,27,36-37H,5-9,11-12,14-15,19H2,1-4H3/b13-10+