3-methyl-2-[[4-[(3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)sulfanylmethyl]phenyl]methylsulfanyl]butanoic acid

Systemtic Name: 3-methyl-2-[[4-[(3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)sulfanylmethyl]phenyl]methylsulfanyl]butanoic acid Openeye Name: 2-[[4-[(1-carboxy-2-methyl-propyl)sulfanylmethyl]phenyl]methylsulfanyl]-3-methyl-butanoic acid CAS Name: 2-[[4-[[(1-hydroxy-3-methyl-1-oxobutan-2-yl)thio]methyl]phenyl]methylthio]-3-methylbutanoic acid IUPAC Name: 2-[[4-[(1-hydroxy-3-methyl-1-oxobutan-2-yl)sulfanylmethyl]phenyl]methylsulfanyl]-3-methylbutanoic acid Traditional Name: 2-[[4-[[(1-carboxy-2-methyl-propyl)thio]methyl]benzyl]thio]-3-methyl-butyric acid Formula: C18H26O4S2 MolecularWeight: 370.52664

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)SCC1=CC=C(C=C1)CSC(C(C)C)C(=O)O

Isomeric SMILES

CC(C)C(C(=O)O)SCC1=CC=C(C=C1)CSC(C(C)C)C(=O)O

InChI

InChI=1S/C18H26O4S2/c1-11(2)15(17(19)20)23-9-13-5-7-14(8-6-13)10-24-16(12(3)4)18(21)22/h5-8,11-12,15-16H,9-10H2,1-4H3,(H,19,20)(H,21,22)