3-decylsulfanyl-5-(phenylsulfonyl)phthalic acid

Systemtic Name: 3-decylsulfanyl-5-(phenylsulfonyl)phthalic acid Openeye Name: 5-(benzenesulfonyl)-3-decylsulfanyl-phthalic acid CAS Name: 5-(benzenesulfonyl)-3-(decylthio)phthalic acid IUPAC Name: 5-(benzenesulfonyl)-3-decylsulfanylphthalic acid Traditional Name: 5-besyl-3-(decylthio)phthalic acid Formula: C24H30O6S2 MolecularWeight: 478.6214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCSC1=C(C(=CC(=C1)S(=O)(=O)C2=CC=CC=C2)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCSC1=C(C(=CC(=C1)S(=O)(=O)C2=CC=CC=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C24H30O6S2/c1-2-3-4-5-6-7-8-12-15-31-21-17-19(16-20(23(25)26)22(21)24(27)28)32(29,30)18-13-10-9-11-14-18/h9-11,13-14,16-17H,2-8,12,15H2,1H3,(H,25,26)(H,27,28)