2,3-bis[1-(2-aminophenyl)sulfanylpropan-2-yl]terephthalic acid

Systemtic Name: 2,3-bis[1-(2-aminophenyl)sulfanylpropan-2-yl]terephthalic acid Openeye Name: 2,3-bis[2-(2-aminophenyl)sulfanyl-1-methyl-ethyl]terephthalic acid CAS Name: 2,3-bis[1-[(2-aminophenyl)thio]propan-2-yl]terephthalic acid IUPAC Name: 2,3-bis[1-(2-aminophenyl)sulfanylpropan-2-yl]terephthalic acid Traditional Name: 2,3-bis[2-[(2-aminophenyl)thio]-1-methyl-ethyl]terephthalic acid Formula: C26H28N2O4S2 MolecularWeight: 496.64152

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC1=CC=CC=C1N)C2=C(C=CC(=C2C(C)CSC3=CC=CC=C3N)C(=O)O)C(=O)O

Isomeric SMILES

CC(CSC1=CC=CC=C1N)C2=C(C=CC(=C2C(C)CSC3=CC=CC=C3N)C(=O)O)C(=O)O

InChI

InChI=1S/C26H28N2O4S2/c1-15(13-33-21-9-5-3-7-19(21)27)23-17(25(29)30)11-12-18(26(31)32)24(23)16(2)14-34-22-10-6-4-8-20(22)28/h3-12,15-16H,13-14,27-28H2,1-2H3,(H,29,30)(H,31,32)