2-(2-acetyloxy-4-oxidanyl-hexyl)-2-(2-phenylpropylsulfanyl)butanedioic acid

Systemtic Name: 2-(2-acetyloxy-4-oxidanyl-hexyl)-2-(2-phenylpropylsulfanyl)butanedioic acid Openeye Name: 2-(2-acetoxy-4-hydroxy-hexyl)-2-(2-phenylpropylsulfanyl)butanedioic acid CAS Name: 2-(2-acetyloxy-4-hydroxyhexyl)-2-(2-phenylpropylthio)butanedioic acid IUPAC Name: 2-(2-acetyloxy-4-hydroxyhexyl)-2-(2-phenylpropylsulfanyl)butanedioic acid Traditional Name: 2-(2-acetoxy-4-hydroxy-hexyl)-2-(2-phenylpropylthio)succinic acid Formula: C21H30O7S MolecularWeight: 426.5237

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(CC(CC(=O)O)(C(=O)O)SCC(C)C1=CC=CC=C1)OC(=O)C)O

Isomeric SMILES

CCC(CC(CC(CC(=O)O)(C(=O)O)SCC(C)C1=CC=CC=C1)OC(=O)C)O

InChI

InChI=1S/C21H30O7S/c1-4-17(23)10-18(28-15(3)22)11-21(20(26)27,12-19(24)25)29-13-14(2)16-8-6-5-7-9-16/h5-9,14,17-18,23H,4,10-13H2,1-3H3,(H,24,25)(H,26,27)