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

Systemtic Name: 3-[(E)-1-(3-carboxyphenyl)-6-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-1-oxidanyl-hex-3-en-2-yl]-4-oxidanylidene-7-sulfanylidene-6H-chromene-2-carboxylic acid Openeye Name: 3-[(E)-5-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-1-[(3-carboxyphenyl)-hydroxy-methyl]pent-2-enyl]-4-oxo-7-thioxo-6H-chromene-2-carboxylic acid CAS Name: 3-[(E)-6-(4-acetyl-3-hydroxy-2-propylphenoxy)-1-(3-carboxyphenyl)-1-hydroxyhex-3-en-2-yl]-4-oxo-7-sulfanylidene-6H-1-benzopyran-2-carboxylic acid IUPAC Name: 3-[(E)-6-(4-acetyl-3-hydroxy-2-propylphenoxy)-1-(3-carboxyphenyl)-1-hydroxyhex-3-en-2-yl]-4-oxo-7-sulfanylidene-6H-chromene-2-carboxylic acid Traditional Name: 3-[(E)-5-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-1-[(3-carboxyphenyl)-hydroxy-methyl]pent-2-enyl]-4-keto-7-thioxo-6H-chromene-2-carboxylic acid Formula: C34H32O10S MolecularWeight: 632.67688

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCC=CC(C2=C(OC3=CC(=S)CC=C3C2=O)C(=O)O)C(C4=CC=CC(=C4)C(=O)O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCC/C=C/C(C2=C(OC3=CC(=S)CC=C3C2=O)C(=O)O)C(C4=CC=CC(=C4)C(=O)O)O

InChI

InChI=1S/C34H32O10S/c1-3-7-23-26(14-13-22(18(2)35)30(23)37)43-15-5-4-10-25(29(36)19-8-6-9-20(16-19)33(39)40)28-31(38)24-12-11-21(45)17-27(24)44-32(28)34(41)42/h4,6,8-10,12-14,16-17,25,29,36-37H,3,5,7,11,15H2,1-2H3,(H,39,40)(H,41,42)/b10-4+