1-azanylpropan-2-ol; benzene-1,3-dicarboxylic acid; [4-(hydroxymethyl)cyclohexyl]methanol

Systemtic Name: 1-azanylpropan-2-ol; benzene-1,3-dicarboxylic acid; [4-(hydroxymethyl)cyclohexyl]methanol Openeye Name: 1-aminopropan-2-ol; [4-(hydroxymethyl)cyclohexyl]methanol; isophthalic acid CAS Name: 1-amino-2-propanol; benzene-1,3-dicarboxylic acid; [4-(hydroxymethyl)cyclohexyl]methanol IUPAC Name: 1-aminopropan-2-ol; benzene-1,3-dicarboxylic acid; [4-(hydroxymethyl)cyclohexyl]methanol Traditional Name: 1-aminopropan-2-ol; isophthalic acid; (4-methylolcyclohexyl)methanol Formula: C19H31NO7 MolecularWeight: 385.45194

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN)O.C1CC(CCC1CO)CO.C1=CC(=CC(=C1)C(=O)O)C(=O)O

Isomeric SMILES

CC(CN)O.C1CC(CCC1CO)CO.C1=CC(=CC(=C1)C(=O)O)C(=O)O

InChI

InChI=1S/C8H6O4.C8H16O2.C3H9NO/c9-7(10)5-2-1-3-6(4-5)8(11)12;9-5-7-1-2-8(6-10)4-3-7;1-3(5)2-4/h1-4H,(H,9,10)(H,11,12);7-10H,1-6H2;3,5H,2,4H2,1H3