5-(3-ethynylphenyl)sulfanylbenzene-1,3-dicarboxylic acid

Systemtic Name: 5-(3-ethynylphenyl)sulfanylbenzene-1,3-dicarboxylic acid Openeye Name: 5-(3-ethynylphenyl)sulfanylbenzene-1,3-dicarboxylic acid CAS Name: 5-[(3-ethynylphenyl)thio]benzene-1,3-dicarboxylic acid IUPAC Name: 5-(3-ethynylphenyl)sulfanylbenzene-1,3-dicarboxylic acid Traditional Name: 5-[(3-ethynylphenyl)thio]isophthalic acid Formula: C16H10O4S MolecularWeight: 298.3132

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)SC2=CC(=CC(=C2)C(=O)O)C(=O)O

Isomeric SMILES

C#CC1=CC(=CC=C1)SC2=CC(=CC(=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C16H10O4S/c1-2-10-4-3-5-13(6-10)21-14-8-11(15(17)18)7-12(9-14)16(19)20/h1,3-9H,(H,17,18)(H,19,20)