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

Systemtic Name: sodium 7-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propoxy]-4-oxidanylidene-8-propyl-thiochromene-2-carboxylate Openeye Name: sodium 7-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propoxy]-4-oxo-8-propyl-thiochromene-2-carboxylate CAS Name: sodium 7-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]-4-oxo-8-propyl-1-benzothiopyran-2-carboxylate IUPAC Name: sodium 7-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]-4-oxo-8-propylthiochromene-2-carboxylate Traditional Name: sodium 7-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propoxy]-4-keto-8-propyl-thiochromene-2-carboxylate Formula: C27H29NaO7S MolecularWeight: 520.56973

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCOC2=C(C3=C(C=C2)C(=O)C=C(S3)C(=O)[O-])CCC.[Na+]

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCOC2=C(C3=C(C=C2)C(=O)C=C(S3)C(=O)[O-])CCC.[Na+]

InChI

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