(1R,2S,3S,6R)-4-[3-[(4-ethylphenyl)methyl]phenyl]-6-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol

Systemtic Name: (1R,2S,3S,6R)-4-[3-[(4-ethylphenyl)methyl]phenyl]-6-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol Openeye Name: (1R,2S,3S,6R)-4-[3-[(4-ethylphenyl)methyl]phenyl]-6-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol CAS Name: (1R,2S,3S,6R)-4-[3-[(4-ethylphenyl)methyl]phenyl]-6-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol IUPAC Name: (1R,2S,3S,6R)-4-[3-[(4-ethylphenyl)methyl]phenyl]-6-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol Traditional Name: (1R,2S,3S,6R)-4-[3-(4-ethylbenzyl)phenyl]-6-methylol-cyclohex-4-ene-1,2,3-triol Formula: C22H26O4 MolecularWeight: 354.43944

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CC2=CC=CC(=C2)C3=CC(C(C(C3O)O)O)CO

Isomeric SMILES

CCC1=CC=C(C=C1)CC2=CC=CC(=C2)C3=C[C@@H]([C@H]([C@@H]([C@H]3O)O)O)CO

InChI

InChI=1S/C22H26O4/c1-2-14-6-8-15(9-7-14)10-16-4-3-5-17(11-16)19-12-18(13-23)20(24)22(26)21(19)25/h3-9,11-12,18,20-26H,2,10,13H2,1H3/t18-,20-,21+,22+/m1/s1