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

Systemtic Name: sodium (E,3R,5S)-7-(5-methyl-4-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-5-methyl-4-phenyl-3-thienyl)hept-6-enoate CAS Name: sodium (E,3R,5S)-3,5-dihydroxy-7-(5-methyl-4-phenyl-2-propan-2-yl-3-thiophenyl)-6-heptenoate IUPAC Name: sodium (E,3R,5S)-3,5-dihydroxy-7-(5-methyl-4-phenyl-2-propan-2-ylthiophen-3-yl)hept-6-enoate Traditional Name: sodium (E,3R,5S)-3,5-dihydroxy-7-(2-isopropyl-5-methyl-4-phenyl-3-thienyl)hept-6-enoate Formula: C21H25NaO4S MolecularWeight: 396.47557

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)C(C)C)C=CC(CC(CC(=O)[O-])O)O)C2=CC=CC=C2.[Na+]

Isomeric SMILES

CC1=C(C(=C(S1)C(C)C)/C=C/[C@H](C[C@H](CC(=O)[O-])O)O)C2=CC=CC=C2.[Na+]

InChI

InChI=1S/C21H26O4S.Na/c1-13(2)21-18(10-9-16(22)11-17(23)12-19(24)25)20(14(3)26-21)15-7-5-4-6-8-15;/h4-10,13,16-17,22-23H,11-12H2,1-3H3,(H,24,25);/q;+1/p-1/b10-9+;/t16-,17-;/m1./s1