sodium (E,3R,5S)-7-(4,5-diphenyl-2-propan-2-yl-thiophen-3-yl)-3,5-bis(oxidanyl)hept-6-enoate

Systemtic Name: sodium (E,3R,5S)-7-(4,5-diphenyl-2-propan-2-yl-thiophen-3-yl)-3,5-bis(oxidanyl)hept-6-enoate Openeye Name: sodium (E,3R,5S)-3,5-dihydroxy-7-(2-isopropyl-4,5-diphenyl-3-thienyl)hept-6-enoate CAS Name: sodium (E,3R,5S)-7-(4,5-diphenyl-2-propan-2-yl-3-thiophenyl)-3,5-dihydroxy-6-heptenoate IUPAC Name: sodium (E,3R,5S)-7-(4,5-diphenyl-2-propan-2-ylthiophen-3-yl)-3,5-dihydroxyhept-6-enoate Traditional Name: sodium (E,3R,5S)-3,5-dihydroxy-7-(2-isopropyl-4,5-diphenyl-3-thienyl)hept-6-enoate Formula: C26H27NaO4S MolecularWeight: 458.54495

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=C(S1)C2=CC=CC=C2)C3=CC=CC=C3)C=CC(CC(CC(=O)[O-])O)O.[Na+]

Isomeric SMILES

CC(C)C1=C(C(=C(S1)C2=CC=CC=C2)C3=CC=CC=C3)/C=C/[C@H](C[C@H](CC(=O)[O-])O)O.[Na+]

InChI

InChI=1S/C26H28O4S.Na/c1-17(2)25-22(14-13-20(27)15-21(28)16-23(29)30)24(18-9-5-3-6-10-18)26(31-25)19-11-7-4-8-12-19;/h3-14,17,20-21,27-28H,15-16H2,1-2H3,(H,29,30);/q;+1/p-1/b14-13+;/t20-,21-;/m1./s1