6,8-bis[(4-bromophenyl)carbonylsulfanyl]octanoic acid

Systemtic Name: 6,8-bis[(4-bromophenyl)carbonylsulfanyl]octanoic acid Openeye Name: 6,8-bis[(4-bromobenzoyl)sulfanyl]octanoic acid CAS Name: 6,8-bis[[(4-bromophenyl)-oxomethyl]thio]octanoic acid IUPAC Name: 6,8-bis[(4-bromobenzoyl)sulfanyl]octanoic acid Traditional Name: 6,8-bis[(4-bromobenzoyl)thio]caprylic acid Formula: C22H22Br2O4S2 MolecularWeight: 574.34568

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)SCCC(CCCCC(=O)O)SC(=O)C2=CC=C(C=C2)Br)Br

Isomeric SMILES

C1=CC(=CC=C1C(=O)SCCC(CCCCC(=O)O)SC(=O)C2=CC=C(C=C2)Br)Br

InChI

InChI=1S/C22H22Br2O4S2/c23-17-9-5-15(6-10-17)21(27)29-14-13-19(3-1-2-4-20(25)26)30-22(28)16-7-11-18(24)12-8-16/h5-12,19H,1-4,13-14H2,(H,25,26)