7-[(3E,5E)-10-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-1-(5-methoxycarbonylfuran-3-yl)-1-oxidanyl-deca-3,5-dien-2-yl]sulfanyl-4-oxidanylidene-chromene-2-carboxylic acid

Systemtic Name: 7-[(3E,5E)-10-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-1-(5-methoxycarbonylfuran-3-yl)-1-oxidanyl-deca-3,5-dien-2-yl]sulfanyl-4-oxidanylidene-chromene-2-carboxylic acid Openeye Name: 7-[(2E,4E)-9-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-1-[hydroxy-(5-methoxycarbonyl-3-furyl)methyl]nona-2,4-dienyl]sulfanyl-4-oxo-chromene-2-carboxylic acid CAS Name: 7-[[(3E,5E)-10-(4-acetyl-3-hydroxy-2-propylphenoxy)-1-hydroxy-1-(5-methoxycarbonyl-3-furanyl)deca-3,5-dien-2-yl]thio]-4-oxo-1-benzopyran-2-carboxylic acid IUPAC Name: 7-[(3E,5E)-10-(4-acetyl-3-hydroxy-2-propylphenoxy)-1-hydroxy-1-(5-methoxycarbonylfuran-3-yl)deca-3,5-dien-2-yl]sulfanyl-4-oxochromene-2-carboxylic acid Traditional Name: 7-[[(2E,4E)-9-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-1-[(5-carbomethoxy-3-furyl)-hydroxy-methyl]nona-2,4-dienyl]thio]-4-keto-chromene-2-carboxylic acid Formula: C37H38O11S MolecularWeight: 690.75602

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCCC=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)OCCCC/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/C37H38O11S/c1-4-11-27-29(16-15-25(22(2)38)35(27)41)46-17-10-8-6-5-7-9-12-33(34(40)23-18-32(47-21-23)37(44)45-3)49-24-13-14-26-28(39)20-31(36(42)43)48-30(26)19-24/h5,7,9,12-16,18-21,33-34,40-41H,4,6,8,10-11,17H2,1-3H3,(H,42,43)/b7-5+,12-9+