3,6-dimethyl-4-oxidanyl-5-(1-oxidanylbutan-2-ylamino)cyclohexa-3,5-diene-1,2-dione

Systemtic Name: 3,6-dimethyl-4-oxidanyl-5-(1-oxidanylbutan-2-ylamino)cyclohexa-3,5-diene-1,2-dione Openeye Name: 4-hydroxy-5-[1-(hydroxymethyl)propylamino]-3,6-dimethyl-1,2-benzoquinone CAS Name: 4-hydroxy-5-(1-hydroxybutan-2-ylamino)-3,6-dimethylcyclohexa-3,5-diene-1,2-dione IUPAC Name: 4-hydroxy-5-(1-hydroxybutan-2-ylamino)-3,6-dimethylcyclohexa-3,5-diene-1,2-dione Traditional Name: 4-hydroxy-3,6-dimethyl-5-(1-methylolpropylamino)-o-benzoquinone Formula: C12H17NO4 MolecularWeight: 239.26768

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NC1=C(C(=O)C(=O)C(=C1O)C)C

Isomeric SMILES

CCC(CO)NC1=C(C(=O)C(=O)C(=C1O)C)C

InChI

InChI=1S/C12H17NO4/c1-4-8(5-14)13-9-6(2)11(16)12(17)7(3)10(9)15/h8,13-15H,4-5H2,1-3H3