trilithium (1R,2R)-2-(1-ethoxyethenyl)-3-methyl-1-(3-methylbutyl)-8-phenylmethoxy-anthracene-1,2,4-triolate

Systemtic Name: trilithium (1R,2R)-2-(1-ethoxyethenyl)-3-methyl-1-(3-methylbutyl)-8-phenylmethoxy-anthracene-1,2,4-triolate Openeye Name: trilithium (1R,2R)-8-benzyloxy-2-(1-ethoxyvinyl)-1-isopentyl-3-methyl-anthracene-1,2,4-triolate CAS Name: trilithium (1R,2R)-2-(1-ethoxyethenyl)-3-methyl-1-(3-methylbutyl)-8-phenylmethoxyanthracene-1,2,4-triolate IUPAC Name: trilithium (1R,2R)-2-(1-ethoxyethenyl)-3-methyl-1-(3-methylbutyl)-8-phenylmethoxyanthracene-1,2,4-triolate Traditional Name: trilithium (1R,2R)-8-benzoxy-2-(1-ethoxyvinyl)-1-isoamyl-3-methyl-anthracene-1,2,4-triolate Formula: C31H33Li3O5 MolecularWeight: 506.41372

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Descriptors Computed from Structure

Canonical SMILES:

[Li+].[Li+].[Li+].CCOC(=C)C1(C(=C(C2=C(C1(CCC(C)C)[O-])C=C3C(=C2)C=CC=C3OCC4=CC=CC=C4)[O-])C)[O-]

Isomeric SMILES

[Li+].[Li+].[Li+].CCOC(=C)[C@]1(C(=C(C2=C([C@@]1(CCC(C)C)[O-])C=C3C(=C2)C=CC=C3OCC4=CC=CC=C4)[O-])C)[O-]

InChI

InChI=1S/C31H34O5.3Li/c1-6-35-22(5)31(34)21(4)29(32)26-17-24-13-10-14-28(36-19-23-11-8-7-9-12-23)25(24)18-27(26)30(31,33)16-15-20(2)3;;;/h7-14,17-18,20,32H,5-6,15-16,19H2,1-4H3;;;/q-2;3*+1/p-1/t30-,31+;;;/m1.../s1