2-(4-methyl-6-sulfanylidene-cyclohexa-1,3-dien-1-yl)terephthalic acid

Systemtic Name: 2-(4-methyl-6-sulfanylidene-cyclohexa-1,3-dien-1-yl)terephthalic acid Openeye Name: 2-(4-methyl-6-thioxo-cyclohexa-1,3-dien-1-yl)terephthalic acid CAS Name: 2-(4-methyl-6-sulfanylidene-1-cyclohexa-1,3-dienyl)terephthalic acid IUPAC Name: 2-(4-methyl-6-sulfanylidenecyclohexa-1,3-dien-1-yl)terephthalic acid Traditional Name: 2-(4-methyl-6-thioxo-cyclohexa-1,3-dien-1-yl)terephthalic acid Formula: C15H12O4S MolecularWeight: 288.31838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C(=S)C1)C2=C(C=CC(=C2)C(=O)O)C(=O)O

Isomeric SMILES

CC1=CC=C(C(=S)C1)C2=C(C=CC(=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C15H12O4S/c1-8-2-4-10(13(20)6-8)12-7-9(14(16)17)3-5-11(12)15(18)19/h2-5,7H,6H2,1H3,(H,16,17)(H,18,19)