1,1'-biphenyl; 4-(3,4-dicarboxylatophenyl)-2-sulfanyl-benzene-1,3-dicarboxylate

Systemtic Name: 1,1'-biphenyl; 4-(3,4-dicarboxylatophenyl)-2-sulfanyl-benzene-1,3-dicarboxylate Openeye Name: biphenyl; 4-(3,4-dicarboxylatophenyl)-2-sulfanyl-benzene-1,3-dicarboxylate CAS Name: 1,1'-biphenyl; 4-(3,4-dicarboxylatophenyl)-2-mercaptobenzene-1,3-dicarboxylate IUPAC Name: 1,1'-biphenyl; 4-(3,4-dicarboxylatophenyl)-2-sulfanylbenzene-1,3-dicarboxylate Traditional Name: biphenyl; 4-(3,4-dicarboxylatophenyl)-2-mercapto-isophthalate Formula: C28H16O8S-4 MolecularWeight: 512.48684

Click to see the large picture

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-])S)C(=O)[O-])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-])S)C(=O)[O-])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)12(25)11(7)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