azane; hexan-1-amine; 3-phenylnonane-1,3-diol

Systemtic Name: azane; hexan-1-amine; 3-phenylnonane-1,3-diol Openeye Name: ammonia; hexan-1-amine; 3-phenylnonane-1,3-diol CAS Name: ammonia; 1-hexanamine; 3-phenylnonane-1,3-diol IUPAC Name: azane; hexan-1-amine; 3-phenylnonane-1,3-diol Traditional Name: ammonia; hexylamine; 3-phenylnonane-1,3-diol Formula: C21H42N2O2 MolecularWeight: 354.57038

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCO)(C1=CC=CC=C1)O.CCCCCCN.N

Isomeric SMILES

CCCCCCC(CCO)(C1=CC=CC=C1)O.CCCCCCN.N

InChI

InChI=1S/C15H24O2.C6H15N.H3N/c1-2-3-4-8-11-15(17,12-13-16)14-9-6-5-7-10-14;1-2-3-4-5-6-7;/h5-7,9-10,16-17H,2-4,8,11-13H2,1H3;2-7H2,1H3;1H3