sodium; 3-methyl-4-oxidanyl-butanoate; 1-[2-oxidanyl-4-[3-(phenylsulfinyl)propoxy]-3-propyl-phenyl]ethanone

Systemtic Name: sodium; 3-methyl-4-oxidanyl-butanoate; 1-[2-oxidanyl-4-[3-(phenylsulfinyl)propoxy]-3-propyl-phenyl]ethanone Openeye Name: sodium; 1-[4-[3-(benzenesulfinyl)propoxy]-2-hydroxy-3-propyl-phenyl]ethanone; 4-hydroxy-3-methyl-butanoate CAS Name: sodium; 1-[4-[3-(benzenesulfinyl)propoxy]-2-hydroxy-3-propylphenyl]ethanone; 4-hydroxy-3-methylbutanoate IUPAC Name: sodium; 1-[4-[3-(benzenesulfinyl)propoxy]-2-hydroxy-3-propylphenyl]ethanone; 4-hydroxy-3-methylbutanoate Traditional Name: sodium; 1-[4-[3-(benzenesulfinyl)propoxy]-2-hydroxy-3-propyl-phenyl]ethanone; 4-hydroxy-3-methyl-butyrate Formula: C25H33NaO7S MolecularWeight: 500.58009

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCS(=O)C2=CC=CC=C2.CC(CC(=O)[O-])CO.[Na+]

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCS(=O)C2=CC=CC=C2.CC(CC(=O)[O-])CO.[Na+]

InChI

InChI=1S/C20H24O4S.C5H10O3.Na/c1-3-8-18-19(12-11-17(15(2)21)20(18)22)24-13-7-14-25(23)16-9-5-4-6-10-16;1-4(3-6)2-5(7)8;/h4-6,9-12,22H,3,7-8,13-14H2,1-2H3;4,6H,2-3H2,1H3,(H,7,8);/q;;+1/p-1