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

Systemtic Name: sodium (E,3R,5S)-7-(4-cyclohexyl-5-phenyl-2-propan-2-yl-thiophen-3-yl)-3,5-bis(oxidanyl)hept-6-enoate Openeye Name: sodium (E,3R,5S)-7-(4-cyclohexyl-2-isopropyl-5-phenyl-3-thienyl)-3,5-dihydroxy-hept-6-enoate CAS Name: sodium (E,3R,5S)-7-(4-cyclohexyl-5-phenyl-2-propan-2-yl-3-thiophenyl)-3,5-dihydroxy-6-heptenoate IUPAC Name: sodium (E,3R,5S)-7-(4-cyclohexyl-5-phenyl-2-propan-2-ylthiophen-3-yl)-3,5-dihydroxyhept-6-enoate Traditional Name: sodium (E,3R,5S)-7-(4-cyclohexyl-2-isopropyl-5-phenyl-3-thienyl)-3,5-dihydroxy-hept-6-enoate Formula: C26H33NaO4S MolecularWeight: 464.59259

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=C(S1)C2=CC=CC=C2)C3CCCCC3)C=CC(CC(CC(=O)[O-])O)O.[Na+]

Isomeric SMILES

CC(C)C1=C(C(=C(S1)C2=CC=CC=C2)C3CCCCC3)/C=C/[C@H](C[C@H](CC(=O)[O-])O)O.[Na+]

InChI

InChI=1S/C26H34O4S.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;/h4,7-8,11-14,17-18,20-21,27-28H,3,5-6,9-10,15-16H2,1-2H3,(H,29,30);/q;+1/p-1/b14-13+;/t20-,21-;/m1./s1