2-[(4-tert-butyl-2,6-dimethyl-3-oxidanyl-phenyl)methyl]benzene-1,4-dicarbothioic S-acid

Systemtic Name: 2-[(4-tert-butyl-2,6-dimethyl-3-oxidanyl-phenyl)methyl]benzene-1,4-dicarbothioic S-acid Openeye Name: 2-[(4-tert-butyl-3-hydroxy-2,6-dimethyl-phenyl)methyl]benzene-1,4-dicarbothioic S-acid CAS Name: 2-[(4-tert-butyl-3-hydroxy-2,6-dimethylphenyl)methyl]benzene-1,4-dicarbothioic S-acid IUPAC Name: 2-[(4-tert-butyl-3-hydroxy-2,6-dimethylphenyl)methyl]benzene-1,4-dicarbothioic S-acid Traditional Name: 2-(4-tert-butyl-3-hydroxy-2,6-dimethyl-benzyl)benzene-1,4-dicarbothioic S-acid Formula: C21H24O3S2 MolecularWeight: 388.54346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1CC2=C(C=CC(=C2)C(=O)S)C(=O)S)C)O)C(C)(C)C

Isomeric SMILES

CC1=CC(=C(C(=C1CC2=C(C=CC(=C2)C(=O)S)C(=O)S)C)O)C(C)(C)C

InChI

InChI=1S/C21H24O3S2/c1-11-8-17(21(3,4)5)18(22)12(2)16(11)10-14-9-13(19(23)25)6-7-15(14)20(24)26/h6-9,22H,10H2,1-5H3,(H,23,25)(H,24,26)