2-(4-tert-butylphenyl)sulfanylterephthalic acid

Systemtic Name: 2-(4-tert-butylphenyl)sulfanylterephthalic acid Openeye Name: 2-(4-tert-butylphenyl)sulfanylterephthalic acid CAS Name: 2-[(4-tert-butylphenyl)thio]terephthalic acid IUPAC Name: 2-(4-tert-butylphenyl)sulfanylterephthalic acid Traditional Name: 2-[(4-tert-butylphenyl)thio]terephthalic acid Formula: C18H18O4S MolecularWeight: 330.39812

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)SC2=C(C=CC(=C2)C(=O)O)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)SC2=C(C=CC(=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C18H18O4S/c1-18(2,3)12-5-7-13(8-6-12)23-15-10-11(16(19)20)4-9-14(15)17(21)22/h4-10H,1-3H3,(H,19,20)(H,21,22)