sodium 3-[3-(3-cyclopentyl-2-oxidanyl-phenyl)-2-oxidanyl-propyl]sulfanylpropanoate

Systemtic Name: sodium 3-[3-(3-cyclopentyl-2-oxidanyl-phenyl)-2-oxidanyl-propyl]sulfanylpropanoate Openeye Name: sodium 3-[3-(3-cyclopentyl-2-hydroxy-phenyl)-2-hydroxy-propyl]sulfanylpropanoate CAS Name: sodium 3-[[3-(3-cyclopentyl-2-hydroxyphenyl)-2-hydroxypropyl]thio]propanoate IUPAC Name: sodium 3-[3-(3-cyclopentyl-2-hydroxyphenyl)-2-hydroxypropyl]sulfanylpropanoate Traditional Name: sodium 3-[[3-(3-cyclopentyl-2-hydroxy-phenyl)-2-hydroxy-propyl]thio]propionate Formula: C17H23NaO4S MolecularWeight: 346.41689

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C2=C(C(=CC=C2)CC(CSCCC(=O)[O-])O)O.[Na+]

Isomeric SMILES

C1CCC(C1)C2=C(C(=CC=C2)CC(CSCCC(=O)[O-])O)O.[Na+]

InChI

InChI=1S/C17H24O4S.Na/c18-14(11-22-9-8-16(19)20)10-13-6-3-7-15(17(13)21)12-4-1-2-5-12;/h3,6-7,12,14,18,21H,1-2,4-5,8-11H2,(H,19,20);/q;+1/p-1