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

Systemtic Name: 7-[(3E,5E)-8-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-1-(5-methoxycarbonylfuran-3-yl)-1-oxidanyl-octa-3,5-dien-2-yl]sulfanyl-4-oxidanylidene-chromene-2-carboxylic acid Openeye Name: 7-[(2E,4E)-7-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-1-[hydroxy-(5-methoxycarbonyl-3-furyl)methyl]hepta-2,4-dienyl]sulfanyl-4-oxo-chromene-2-carboxylic acid CAS Name: 7-[[(3E,5E)-8-(4-acetyl-3-hydroxy-2-propylphenoxy)-1-hydroxy-1-(5-methoxycarbonyl-3-furanyl)octa-3,5-dien-2-yl]thio]-4-oxo-1-benzopyran-2-carboxylic acid IUPAC Name: 7-[(3E,5E)-8-(4-acetyl-3-hydroxy-2-propylphenoxy)-1-hydroxy-1-(5-methoxycarbonylfuran-3-yl)octa-3,5-dien-2-yl]sulfanyl-4-oxochromene-2-carboxylic acid Traditional Name: 7-[[(2E,4E)-7-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-1-[(5-carbomethoxy-3-furyl)-hydroxy-methyl]hepta-2,4-dienyl]thio]-4-keto-chromene-2-carboxylic acid Formula: C35H34O11S MolecularWeight: 662.70286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C35H34O11S/c1-4-9-25-27(14-13-23(20(2)36)33(25)39)44-15-8-6-5-7-10-31(32(38)21-16-30(45-19-21)35(42)43-3)47-22-11-12-24-26(37)18-29(34(40)41)46-28(24)17-22/h5-7,10-14,16-19,31-32,38-39H,4,8-9,15H2,1-3H3,(H,40,41)/b6-5+,10-7+