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

Systemtic Name: sodium (E,3R,5S)-7-(4-cyclopentyl-5-phenyl-2-propan-2-yl-thiophen-3-yl)-3,5-bis(oxidanyl)hept-6-enoate Openeye Name: sodium (E,3R,5S)-7-(4-cyclopentyl-2-isopropyl-5-phenyl-3-thienyl)-3,5-dihydroxy-hept-6-enoate CAS Name: sodium (E,3R,5S)-7-(4-cyclopentyl-5-phenyl-2-propan-2-yl-3-thiophenyl)-3,5-dihydroxy-6-heptenoate IUPAC Name: sodium (E,3R,5S)-7-(4-cyclopentyl-5-phenyl-2-propan-2-ylthiophen-3-yl)-3,5-dihydroxyhept-6-enoate Traditional Name: sodium (E,3R,5S)-7-(4-cyclopentyl-2-isopropyl-5-phenyl-3-thienyl)-3,5-dihydroxy-hept-6-enoate Formula: C25H31NaO4S MolecularWeight: 450.56601

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=C(S1)C2=CC=CC=C2)C3CCCC3)C=CC(CC(CC(=O)[O-])O)O.[Na+]

Isomeric SMILES

CC(C)C1=C(C(=C(S1)C2=CC=CC=C2)C3CCCC3)/C=C/[C@H](C[C@H](CC(=O)[O-])O)O.[Na+]

InChI

InChI=1S/C25H32O4S.Na/c1-16(2)24-21(13-12-19(26)14-20(27)15-22(28)29)23(17-8-6-7-9-17)25(30-24)18-10-4-3-5-11-18;/h3-5,10-13,16-17,19-20,26-27H,6-9,14-15H2,1-2H3,(H,28,29);/q;+1/p-1/b13-12+;/t19-,20-;/m1./s1