1,1'-biphenyl; 4-(3,4-dicarboxylatophenyl)-3-sulfanyl-phthalate

Systemtic Name: 1,1'-biphenyl; 4-(3,4-dicarboxylatophenyl)-3-sulfanyl-phthalate Openeye Name: biphenyl; 4-(3,4-dicarboxylatophenyl)-3-sulfanyl-phthalate CAS Name: 1,1'-biphenyl; 4-(3,4-dicarboxylatophenyl)-3-mercaptophthalate IUPAC Name: 1,1'-biphenyl; 4-(3,4-dicarboxylatophenyl)-3-sulfanylphthalate Traditional Name: biphenyl; 4-(3,4-dicarboxylatophenyl)-3-mercapto-phthalate Formula: C28H16O8S-4 MolecularWeight: 512.48684

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=CC=C2.C1=CC(=C(C=C1C2=C(C(=C(C=C2)C(=O)[O-])C(=O)[O-])S)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=CC=C2.C1=CC(=C(C=C1C2=C(C(=C(C=C2)C(=O)[O-])C(=O)[O-])S)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C16H10O8S.C12H10/c17-13(18)8-2-1-6(5-10(8)15(21)22)7-3-4-9(14(19)20)11(12(7)25)16(23)24;1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-5,25H,(H,17,18)(H,19,20)(H,21,22)(H,23,24);1-10H/p-4