N-tert-butyl-1-phenyl-methanimine oxide; (2R,3R)-2-(3-methoxy-4-oxidanyl-phenyl)-3,4-dihydro-2H-chromene-3,5,7-triol

Systemtic Name: N-tert-butyl-1-phenyl-methanimine oxide; (2R,3R)-2-(3-methoxy-4-oxidanyl-phenyl)-3,4-dihydro-2H-chromene-3,5,7-triol Openeye Name: N-tert-butyl-1-phenyl-methanimine oxide; (2R,3R)-2-(4-hydroxy-3-methoxy-phenyl)chromane-3,5,7-triol CAS Name: N-tert-butyl-1-phenylmethanimine oxide; (2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol IUPAC Name: N-tert-butyl-1-phenylmethanimine oxide; (2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol Traditional Name: N-tert-butyl-1-phenyl-methanimine oxide; (2R,3R)-2-(4-hydroxy-3-methoxy-phenyl)chroman-3,5,7-triol Formula: C27H31NO7 MolecularWeight: 481.53754

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[N+](=CC1=CC=CC=C1)[O-].COC1=C(C=CC(=C1)C2C(CC3=C(C=C(C=C3O2)O)O)O)O

Isomeric SMILES

CC(C)(C)/[N+](=C\C1=CC=CC=C1)/[O-].COC1=C(C=CC(=C1)[C@@H]2[C@@H](CC3=C(C=C(C=C3O2)O)O)O)O

InChI

InChI=1S/C16H16O6.C11H15NO/c1-21-15-4-8(2-3-11(15)18)16-13(20)7-10-12(19)5-9(17)6-14(10)22-16;1-11(2,3)12(13)9-10-7-5-4-6-8-10/h2-6,13,16-20H,7H2,1H3;4-9H,1-3H3/b;12-9+/t13-,16-;/m1./s1