sodium (E)-7-(6-chloranyl-2,4-diphenyl-quinolin-3-yl)-3,5-bis(oxidanyl)hept-6-enoate

Systemtic Name: sodium (E)-7-(6-chloranyl-2,4-diphenyl-quinolin-3-yl)-3,5-bis(oxidanyl)hept-6-enoate Openeye Name: sodium (E)-7-(6-chloro-2,4-diphenyl-3-quinolyl)-3,5-dihydroxy-hept-6-enoate CAS Name: sodium (E)-7-(6-chloro-2,4-diphenyl-3-quinolinyl)-3,5-dihydroxy-6-heptenoate IUPAC Name: sodium (E)-7-(6-chloro-2,4-diphenylquinolin-3-yl)-3,5-dihydroxyhept-6-enoate Traditional Name: sodium (E)-7-(6-chloro-2,4-diphenyl-3-quinolyl)-3,5-dihydroxy-hept-6-enoate Formula: C28H23ClNNaO4 MolecularWeight: 495.92929

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=C2C=CC(CC(CC(=O)[O-])O)O)C4=CC=CC=C4)Cl.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=C2/C=C/C(CC(CC(=O)[O-])O)O)C4=CC=CC=C4)Cl.[Na+]

InChI

InChI=1S/C28H24ClNO4.Na/c29-20-11-14-25-24(15-20)27(18-7-3-1-4-8-18)23(28(30-25)19-9-5-2-6-10-19)13-12-21(31)16-22(32)17-26(33)34;/h1-15,21-22,31-32H,16-17H2,(H,33,34);/q;+1/p-1/b13-12+;