(E)-20-[3-oxidanyl-4-(4-oxidanyl-4-oxidanylidene-butanoyl)phenyl]sulfanylicos-7-enoic acid

Systemtic Name: (E)-20-[3-oxidanyl-4-(4-oxidanyl-4-oxidanylidene-butanoyl)phenyl]sulfanylicos-7-enoic acid Openeye Name: (E)-20-[3-hydroxy-4-(4-hydroxy-4-oxo-butanoyl)phenyl]sulfanylicos-7-enoic acid CAS Name: (E)-20-[[3-hydroxy-4-(4-hydroxy-1,4-dioxobutyl)phenyl]thio]-7-eicosenoic acid IUPAC Name: (E)-20-[3-hydroxy-4-(4-hydroxy-4-oxobutanoyl)phenyl]sulfanylicos-7-enoic acid Traditional Name: (E)-20-[[3-hydroxy-4-(4-hydroxy-4-keto-butanoyl)phenyl]thio]eicos-7-enoic acid Formula: C30H46O6S MolecularWeight: 534.74764

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1SCCCCCCCCCCCCC=CCCCCCC(=O)O)O)C(=O)CCC(=O)O

Isomeric SMILES

C1=CC(=C(C=C1SCCCCCCCCCCCC/C=C/CCCCCC(=O)O)O)C(=O)CCC(=O)O

InChI

InChI=1S/C30H46O6S/c31-27(21-22-30(35)36)26-20-19-25(24-28(26)32)37-23-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-29(33)34/h6,8,19-20,24,32H,1-5,7,9-18,21-23H2,(H,33,34)(H,35,36)/b8-6+