7-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenyl)sulfanylpropoxy]naphthalene-2-carboxylic acid

Systemtic Name: 7-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenyl)sulfanylpropoxy]naphthalene-2-carboxylic acid Openeye Name: 7-[3-(4-acetyl-3-hydroxy-2-propyl-phenyl)sulfanylpropoxy]naphthalene-2-carboxylic acid CAS Name: 7-[3-[(4-acetyl-3-hydroxy-2-propylphenyl)thio]propoxy]-2-naphthalenecarboxylic acid IUPAC Name: 7-[3-(4-acetyl-3-hydroxy-2-propylphenyl)sulfanylpropoxy]naphthalene-2-carboxylic acid Traditional Name: 7-[3-[(4-acetyl-3-hydroxy-2-propyl-phenyl)thio]propoxy]-2-naphthoic acid Formula: C25H26O5S MolecularWeight: 438.53594

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)SCCCOC2=CC3=C(C=CC(=C3)C(=O)O)C=C2

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)SCCCOC2=CC3=C(C=CC(=C3)C(=O)O)C=C2

InChI

InChI=1S/C25H26O5S/c1-3-5-22-23(11-10-21(16(2)26)24(22)27)31-13-4-12-30-20-9-8-17-6-7-18(25(28)29)14-19(17)15-20/h6-11,14-15,27H,3-5,12-13H2,1-2H3,(H,28,29)