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

Systemtic Name: 3-[(E)-12-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-5-oxidanyl-dodec-7-en-6-yl]-2-methyl-7-sulfanylidene-6H-chromen-4-one Openeye Name: 3-[(E)-7-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-1-(1-hydroxypentyl)hept-2-enyl]-2-methyl-7-thioxo-6H-chromen-4-one CAS Name: 3-[(E)-12-(4-acetyl-3-hydroxy-2-propylphenoxy)-5-hydroxydodec-7-en-6-yl]-2-methyl-7-sulfanylidene-6H-1-benzopyran-4-one IUPAC Name: 3-[(E)-12-(4-acetyl-3-hydroxy-2-propylphenoxy)-5-hydroxydodec-7-en-6-yl]-2-methyl-7-sulfanylidene-6H-chromen-4-one Traditional Name: 3-[(E)-7-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-1-(1-hydroxypentyl)hept-2-enyl]-2-methyl-7-thioxo-6H-chromen-4-one Formula: C33H42O6S MolecularWeight: 566.74798

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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)C)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)C)O

InChI

InChI=1S/C33H42O6S/c1-5-7-14-28(35)25(31-22(4)39-30-20-23(40)15-16-27(30)33(31)37)13-10-8-9-11-19-38-29-18-17-24(21(3)34)32(36)26(29)12-6-2/h10,13,16-18,20,25,28,35-36H,5-9,11-12,14-15,19H2,1-4H3/b13-10+