3-(3-aminophenyl)-3,4,5-tris(oxidanyl)oxan-2-one; aniline

Systemtic Name: 3-(3-aminophenyl)-3,4,5-tris(oxidanyl)oxan-2-one; aniline Openeye Name: 3-(3-aminophenyl)-3,4,5-trihydroxy-tetrahydropyran-2-one; aniline CAS Name: 3-(3-aminophenyl)-3,4,5-trihydroxy-2-oxanone; aniline IUPAC Name: 3-(3-aminophenyl)-3,4,5-trihydroxyoxan-2-one; aniline Traditional Name: 3-(3-aminophenyl)-3,4,5-trihydroxy-tetrahydropyran-2-one; phenylamine Formula: C17H20N2O5 MolecularWeight: 332.3511

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C(=O)O1)(C2=CC(=CC=C2)N)O)O)O.C1=CC=C(C=C1)N

Isomeric SMILES

C1C(C(C(C(=O)O1)(C2=CC(=CC=C2)N)O)O)O.C1=CC=C(C=C1)N

InChI

InChI=1S/C11H13NO5.C6H7N/c12-7-3-1-2-6(4-7)11(16)9(14)8(13)5-17-10(11)15;7-6-4-2-1-3-5-6/h1-4,8-9,13-14,16H,5,12H2;1-5H,7H2