2-(2-butylphenyl)sulfanylterephthalic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC=C1SC2=C(C=CC(=C2)C(=O)O)C(=O)O

Isomeric SMILES

CCCCC1=CC=CC=C1SC2=C(C=CC(=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C18H18O4S/c1-2-3-6-12-7-4-5-8-15(12)23-16-11-13(17(19)20)9-10-14(16)18(21)22/h4-5,7-11H,2-3,6H2,1H3,(H,19,20)(H,21,22)