7-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-2-oxidanyl-propoxy]-4-oxidanylidene-6-propyl-thiochromene-2-carboxylic acid

Systemtic Name: 7-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-2-oxidanyl-propoxy]-4-oxidanylidene-6-propyl-thiochromene-2-carboxylic acid Openeye Name: 7-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydroxy-propoxy]-4-oxo-6-propyl-thiochromene-2-carboxylic acid CAS Name: 7-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy]-4-oxo-6-propyl-1-benzothiopyran-2-carboxylic acid IUPAC Name: 7-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy]-4-oxo-6-propylthiochromene-2-carboxylic acid Traditional Name: 7-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydroxy-propoxy]-4-keto-6-propyl-thiochromene-2-carboxylic acid Formula: C27H30O8S MolecularWeight: 514.5873

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C2C(=C1)C(=O)C=C(S2)C(=O)O)OCC(COC3=C(C(=C(C=C3)C(=O)C)O)CCC)O

Isomeric SMILES

CCCC1=C(C=C2C(=C1)C(=O)C=C(S2)C(=O)O)OCC(COC3=C(C(=C(C=C3)C(=O)C)O)CCC)O

InChI

InChI=1S/C27H30O8S/c1-4-6-16-10-20-21(30)11-25(27(32)33)36-24(20)12-23(16)35-14-17(29)13-34-22-9-8-18(15(3)28)26(31)19(22)7-5-2/h8-12,17,29,31H,4-7,13-14H2,1-3H3,(H,32,33)