4-(2-azanylethyl)benzene-1,2-diol; 2,2-di(propan-2-yl)hexanedioate

Systemtic Name: 4-(2-azanylethyl)benzene-1,2-diol; 2,2-di(propan-2-yl)hexanedioate Openeye Name: 4-(2-aminoethyl)benzene-1,2-diol; 2,2-diisopropylhexanedioate CAS Name: 4-(2-aminoethyl)benzene-1,2-diol; 2,2-di(propan-2-yl)hexanedioate IUPAC Name: 4-(2-aminoethyl)benzene-1,2-diol; 2,2-di(propan-2-yl)hexanedioate Traditional Name: 4-(2-aminoethyl)pyrocatechol; 2,2-diisopropyladipate Formula: C20H31NO6-2 MolecularWeight: 381.46324

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCC(=O)[O-])(C(C)C)C(=O)[O-].C1=CC(=C(C=C1CCN)O)O

Isomeric SMILES

CC(C)C(CCCC(=O)[O-])(C(C)C)C(=O)[O-].C1=CC(=C(C=C1CCN)O)O

InChI

InChI=1S/C12H22O4.C8H11NO2/c1-8(2)12(9(3)4,11(15)16)7-5-6-10(13)14;9-4-3-6-1-2-7(10)8(11)5-6/h8-9H,5-7H2,1-4H3,(H,13,14)(H,15,16);1-2,5,10-11H,3-4,9H2/p-2