7-[(3E,5Z)-8-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-1-oxidanyl-1-thiophen-3-yl-octa-3,5-dien-2-yl]sulfanyl-4-oxidanylidene-chromene-2-carboxylic acid

Systemtic Name: 7-[(3E,5Z)-8-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-1-oxidanyl-1-thiophen-3-yl-octa-3,5-dien-2-yl]sulfanyl-4-oxidanylidene-chromene-2-carboxylic acid Openeye Name: 7-[(2E,4Z)-7-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-1-[hydroxy(3-thienyl)methyl]hepta-2,4-dienyl]sulfanyl-4-oxo-chromene-2-carboxylic acid CAS Name: 7-[[(3E,5Z)-8-(4-acetyl-3-hydroxy-2-propylphenoxy)-1-hydroxy-1-(3-thiophenyl)octa-3,5-dien-2-yl]thio]-4-oxo-1-benzopyran-2-carboxylic acid IUPAC Name: 7-[(3E,5Z)-8-(4-acetyl-3-hydroxy-2-propylphenoxy)-1-hydroxy-1-thiophen-3-ylocta-3,5-dien-2-yl]sulfanyl-4-oxochromene-2-carboxylic acid Traditional Name: 7-[[(2E,4Z)-7-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-1-[hydroxy(3-thienyl)methyl]hepta-2,4-dienyl]thio]-4-keto-chromene-2-carboxylic acid Formula: C33H32O8S2 MolecularWeight: 620.73238

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCC=CC=CC(C(C2=CSC=C2)O)SC3=CC4=C(C=C3)C(=O)C=C(O4)C(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCC/C=C\C=C\C(C(C2=CSC=C2)O)SC3=CC4=C(C=C3)C(=O)C=C(O4)C(=O)O

InChI

InChI=1S/C33H32O8S2/c1-3-8-25-27(13-12-23(20(2)34)32(25)37)40-15-7-5-4-6-9-30(31(36)21-14-16-42-19-21)43-22-10-11-24-26(35)18-29(33(38)39)41-28(24)17-22/h4-6,9-14,16-19,30-31,36-37H,3,7-8,15H2,1-2H3,(H,38,39)/b5-4-,9-6+