2-[4-[4-(1-oxidanyl-1-oxidanylidene-octan-2-yl)sulfonylphenyl]sulfonylphenyl]sulfonyloctanoic acid

Systemtic Name: 2-[4-[4-(1-oxidanyl-1-oxidanylidene-octan-2-yl)sulfonylphenyl]sulfonylphenyl]sulfonyloctanoic acid Openeye Name: 2-[4-[4-(1-carboxyheptylsulfonyl)phenyl]sulfonylphenyl]sulfonyloctanoic acid CAS Name: 2-[4-[4-(1-hydroxy-1-oxooctan-2-yl)sulfonylphenyl]sulfonylphenyl]sulfonyloctanoic acid IUPAC Name: 2-[4-[4-(1-hydroxy-1-oxooctan-2-yl)sulfonylphenyl]sulfonylphenyl]sulfonyloctanoic acid Traditional Name: 2-[4-[4-(1-carboxyheptylsulfonyl)phenyl]sulfonylphenyl]sulfonylcaprylic acid Formula: C28H38O10S3 MolecularWeight: 630.79032

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)O)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)C(CCCCCC)C(=O)O

Isomeric SMILES

CCCCCCC(C(=O)O)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)C(CCCCCC)C(=O)O

InChI

InChI=1S/C28H38O10S3/c1-3-5-7-9-11-25(27(29)30)40(35,36)23-17-13-21(14-18-23)39(33,34)22-15-19-24(20-16-22)41(37,38)26(28(31)32)12-10-8-6-4-2/h13-20,25-26H,3-12H2,1-2H3,(H,29,30)(H,31,32)