3-[(E)-1-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-6-oxidanyl-dec-3-en-5-yl]-4-oxidanylidene-7-sulfanylidene-6H-chromene-2-carboxylic acid

Systemtic Name: 3-[(E)-1-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-6-oxidanyl-dec-3-en-5-yl]-4-oxidanylidene-7-sulfanylidene-6H-chromene-2-carboxylic acid Openeye Name: 3-[1-[(E)-4-(4-acetyl-3-hydroxy-2-propyl-phenoxy)but-1-enyl]-2-hydroxy-hexyl]-4-oxo-7-thioxo-6H-chromene-2-carboxylic acid CAS Name: 3-[(E)-1-(4-acetyl-3-hydroxy-2-propylphenoxy)-6-hydroxydec-3-en-5-yl]-4-oxo-7-sulfanylidene-6H-1-benzopyran-2-carboxylic acid IUPAC Name: 3-[(E)-1-(4-acetyl-3-hydroxy-2-propylphenoxy)-6-hydroxydec-3-en-5-yl]-4-oxo-7-sulfanylidene-6H-chromene-2-carboxylic acid Traditional Name: 3-[(E)-5-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-1-(1-hydroxypentyl)pent-2-enyl]-4-keto-7-thioxo-6H-chromene-2-carboxylic acid Formula: C31H36O8S MolecularWeight: 568.67774

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(C=CCCOC1=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/CCOC1=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/C31H36O8S/c1-4-6-11-24(33)21(27-29(35)23-13-12-19(40)17-26(23)39-30(27)31(36)37)10-7-8-16-38-25-15-14-20(18(3)32)28(34)22(25)9-5-2/h7,10,13-15,17,21,24,33-34H,4-6,8-9,11-12,16H2,1-3H3,(H,36,37)/b10-7+