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

Systemtic Name: (1R,2R)-2-(1-ethoxyethenyl)-3-methyl-1-(3-methylbutyl)-8-phenylmethoxy-anthracene-1,2,4-triol Openeye Name: (1R,2R)-8-benzyloxy-2-(1-ethoxyvinyl)-1-isopentyl-3-methyl-anthracene-1,2,4-triol CAS Name: (1R,2R)-2-(1-ethoxyethenyl)-3-methyl-1-(3-methylbutyl)-8-phenylmethoxyanthracene-1,2,4-triol IUPAC Name: (1R,2R)-2-(1-ethoxyethenyl)-3-methyl-1-(3-methylbutyl)-8-phenylmethoxyanthracene-1,2,4-triol Traditional Name: (1R,2R)-8-benzoxy-2-(1-ethoxyvinyl)-1-isoamyl-3-methyl-anthracene-1,2,4-triol Formula: C31H36O5 MolecularWeight: 488.61454

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Descriptors Computed from Structure

Canonical SMILES:

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

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/C31H36O5/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/h7-14,17-18,20,32-34H,5-6,15-16,19H2,1-4H3/t30-,31+/m1/s1