sodium 7-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-2-oxidanyl-propoxy]-4-oxidanylidene-8-propyl-thiochromene-2-carboxylate

Systemtic Name: sodium 7-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-2-oxidanyl-propoxy]-4-oxidanylidene-8-propyl-thiochromene-2-carboxylate Openeye Name: sodium 7-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydroxy-propoxy]-4-oxo-8-propyl-thiochromene-2-carboxylate CAS Name: sodium 7-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy]-4-oxo-8-propyl-1-benzothiopyran-2-carboxylate IUPAC Name: sodium 7-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy]-4-oxo-8-propylthiochromene-2-carboxylate Traditional Name: sodium 7-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydroxy-propoxy]-4-keto-8-propyl-thiochromene-2-carboxylate Formula: C27H29NaO8S MolecularWeight: 536.56913

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCC(COC2=C(C3=C(C=C2)C(=O)C=C(S3)C(=O)[O-])CCC)O.[Na+]

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCC(COC2=C(C3=C(C=C2)C(=O)C=C(S3)C(=O)[O-])CCC)O.[Na+]

InChI

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