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

Systemtic Name: sodium (E,3R,5S)-7-(4-octyl-5-phenyl-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-octyl-5-phenyl-3-thienyl)hept-6-enoate CAS Name: sodium (E,3R,5S)-3,5-dihydroxy-7-(4-octyl-5-phenyl-2-propan-2-yl-3-thiophenyl)-6-heptenoate IUPAC Name: sodium (E,3R,5S)-3,5-dihydroxy-7-(4-octyl-5-phenyl-2-propan-2-ylthiophen-3-yl)hept-6-enoate Traditional Name: sodium (E,3R,5S)-3,5-dihydroxy-7-(2-isopropyl-4-octyl-5-phenyl-3-thienyl)hept-6-enoate Formula: C28H39NaO4S MolecularWeight: 494.66163

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(SC(=C1C=CC(CC(CC(=O)[O-])O)O)C(C)C)C2=CC=CC=C2.[Na+]

Isomeric SMILES

CCCCCCCCC1=C(SC(=C1/C=C/[C@H](C[C@H](CC(=O)[O-])O)O)C(C)C)C2=CC=CC=C2.[Na+]

InChI

InChI=1S/C28H40O4S.Na/c1-4-5-6-7-8-12-15-24-25(17-16-22(29)18-23(30)19-26(31)32)27(20(2)3)33-28(24)21-13-10-9-11-14-21;/h9-11,13-14,16-17,20,22-23,29-30H,4-8,12,15,18-19H2,1-3H3,(H,31,32);/q;+1/p-1/b17-16+;/t22-,23-;/m1./s1