5-methyl-4-[[5-methyl-1-oxidanyl-1-oxidanylidene-2-(phenylmethyl)heptan-4-yl]disulfanyl]-2-(phenylmethyl)heptanoic acid

Systemtic Name: 5-methyl-4-[[5-methyl-1-oxidanyl-1-oxidanylidene-2-(phenylmethyl)heptan-4-yl]disulfanyl]-2-(phenylmethyl)heptanoic acid Openeye Name: 2-benzyl-4-[(3-benzyl-4-hydroxy-4-oxo-1-sec-butyl-butyl)disulfanyl]-5-methyl-heptanoic acid CAS Name: 4-[[1-hydroxy-5-methyl-1-oxo-2-(phenylmethyl)heptan-4-yl]disulfanyl]-5-methyl-2-(phenylmethyl)heptanoic acid IUPAC Name: 2-benzyl-4-[(2-benzyl-1-hydroxy-5-methyl-1-oxoheptan-4-yl)disulfanyl]-5-methylheptanoic acid Traditional Name: 2-benzyl-4-[(3-benzyl-4-hydroxy-4-keto-1-sec-butyl-butyl)disulfanyl]-5-methyl-enanthic acid Formula: C30H42O4S2 MolecularWeight: 530.78208

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(CC(CC1=CC=CC=C1)C(=O)O)SSC(CC(CC2=CC=CC=C2)C(=O)O)C(C)CC

Isomeric SMILES

CCC(C)C(CC(CC1=CC=CC=C1)C(=O)O)SSC(CC(CC2=CC=CC=C2)C(=O)O)C(C)CC

InChI

InChI=1S/C30H42O4S2/c1-5-21(3)27(19-25(29(31)32)17-23-13-9-7-10-14-23)35-36-28(22(4)6-2)20-26(30(33)34)18-24-15-11-8-12-16-24/h7-16,21-22,25-28H,5-6,17-20H2,1-4H3,(H,31,32)(H,33,34)