7-[5-(2-ethanoyl-3-oxidanyl-phenoxy)pentoxy]-4-oxidanylidene-8-propyl-thiochromene-2-carboxylic acid

Systemtic Name: 7-[5-(2-ethanoyl-3-oxidanyl-phenoxy)pentoxy]-4-oxidanylidene-8-propyl-thiochromene-2-carboxylic acid Openeye Name: 7-[5-(2-acetyl-3-hydroxy-phenoxy)pentoxy]-4-oxo-8-propyl-thiochromene-2-carboxylic acid CAS Name: 7-[5-(2-acetyl-3-hydroxyphenoxy)pentoxy]-4-oxo-8-propyl-1-benzothiopyran-2-carboxylic acid IUPAC Name: 7-[5-(2-acetyl-3-hydroxyphenoxy)pentoxy]-4-oxo-8-propylthiochromene-2-carboxylic acid Traditional Name: 7-[5-(2-acetyl-3-hydroxy-phenoxy)pentoxy]-4-keto-8-propyl-thiochromene-2-carboxylic acid Formula: C26H28O7S MolecularWeight: 484.56132

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC2=C1SC(=CC2=O)C(=O)O)OCCCCCOC3=CC=CC(=C3C(=O)C)O

Isomeric SMILES

CCCC1=C(C=CC2=C1SC(=CC2=O)C(=O)O)OCCCCCOC3=CC=CC(=C3C(=O)C)O

InChI

InChI=1S/C26H28O7S/c1-3-8-18-21(12-11-17-20(29)15-23(26(30)31)34-25(17)18)32-13-5-4-6-14-33-22-10-7-9-19(28)24(22)16(2)27/h7,9-12,15,28H,3-6,8,13-14H2,1-2H3,(H,30,31)