3-[(E)-12-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-5-oxidanyl-dodec-7-en-6-yl]-4-oxidanylidene-7-sulfanylidene-6H-chromene-2-carboxylic acid

Systemtic Name: 3-[(E)-12-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-5-oxidanyl-dodec-7-en-6-yl]-4-oxidanylidene-7-sulfanylidene-6H-chromene-2-carboxylic acid Openeye Name: 3-[(E)-7-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-1-(1-hydroxypentyl)hept-2-enyl]-4-oxo-7-thioxo-6H-chromene-2-carboxylic acid CAS Name: 3-[(E)-12-(4-acetyl-3-hydroxy-2-propylphenoxy)-5-hydroxydodec-7-en-6-yl]-4-oxo-7-sulfanylidene-6H-1-benzopyran-2-carboxylic acid IUPAC Name: 3-[(E)-12-(4-acetyl-3-hydroxy-2-propylphenoxy)-5-hydroxydodec-7-en-6-yl]-4-oxo-7-sulfanylidene-6H-chromene-2-carboxylic acid Traditional Name: 3-[(E)-7-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-1-(1-hydroxypentyl)hept-2-enyl]-4-keto-7-thioxo-6H-chromene-2-carboxylic acid Formula: C33H40O8S MolecularWeight: 596.7309

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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)O)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)O)O

InChI

InChI=1S/C33H40O8S/c1-4-6-13-26(35)23(29-31(37)25-15-14-21(42)19-28(25)41-32(29)33(38)39)12-9-7-8-10-18-40-27-17-16-22(20(3)34)30(36)24(27)11-5-2/h9,12,15-17,19,23,26,35-36H,4-8,10-11,13-14,18H2,1-3H3,(H,38,39)/b12-9+