5-tert-butyl-2-(phenyldisulfanyl)benzene-1,3-dicarboxylic acid

Systemtic Name: 5-tert-butyl-2-(phenyldisulfanyl)benzene-1,3-dicarboxylic acid Openeye Name: 5-tert-butyl-2-(phenyldisulfanyl)benzene-1,3-dicarboxylic acid CAS Name: 5-tert-butyl-2-(phenyldisulfanyl)benzene-1,3-dicarboxylic acid IUPAC Name: 5-tert-butyl-2-(phenyldisulfanyl)benzene-1,3-dicarboxylic acid Traditional Name: 5-tert-butyl-2-(phenyldisulfanyl)isophthalic acid Formula: C18H18O4S2 MolecularWeight: 362.46312

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=C1)C(=O)O)SSC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=C1)C(=O)O)SSC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C18H18O4S2/c1-18(2,3)11-9-13(16(19)20)15(14(10-11)17(21)22)24-23-12-7-5-4-6-8-12/h4-10H,1-3H3,(H,19,20)(H,21,22)