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

Systemtic Name: 7-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propoxy]-4-oxidanylidene-6-propyl-thiochromene-2-carboxylic acid Openeye Name: 7-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propoxy]-4-oxo-6-propyl-thiochromene-2-carboxylic acid CAS Name: 7-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]-4-oxo-6-propyl-1-benzothiopyran-2-carboxylic acid IUPAC Name: 7-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]-4-oxo-6-propylthiochromene-2-carboxylic acid Traditional Name: 7-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propoxy]-4-keto-6-propyl-thiochromene-2-carboxylic acid Formula: C27H30O7S MolecularWeight: 498.5879

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C2C(=C1)C(=O)C=C(S2)C(=O)O)OCCCOC3=C(C(=C(C=C3)C(=O)C)O)CCC

Isomeric SMILES

CCCC1=C(C=C2C(=C1)C(=O)C=C(S2)C(=O)O)OCCCOC3=C(C(=C(C=C3)C(=O)C)O)CCC

InChI

InChI=1S/C27H30O7S/c1-4-7-17-13-20-21(29)14-25(27(31)32)35-24(20)15-23(17)34-12-6-11-33-22-10-9-18(16(3)28)26(30)19(22)8-5-2/h9-10,13-15,30H,4-8,11-12H2,1-3H3,(H,31,32)