2-(2-phenyl-1,3-benzoxazol-5-yl)propan-1-ol hydrate

Systemtic Name: 2-(2-phenyl-1,3-benzoxazol-5-yl)propan-1-ol hydrate Openeye Name: 2-(2-phenyl-1,3-benzoxazol-5-yl)propan-1-ol hydrate CAS Name: 2-(2-phenyl-1,3-benzoxazol-5-yl)-1-propanol hydrate IUPAC Name: 2-(2-phenyl-1,3-benzoxazol-5-yl)propan-1-ol hydrate Traditional Name: 2-(2-phenyl-1,3-benzoxazol-5-yl)propan-1-ol hydrate Formula: C64H62N4O9 MolecularWeight: 1031.19848

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)C1=CC2=C(C=C1)OC(=N2)C3=CC=CC=C3.CC(CO)C1=CC2=C(C=C1)OC(=N2)C3=CC=CC=C3.CC(CO)C1=CC2=C(C=C1)OC(=N2)C3=CC=CC=C3.CC(CO)C1=CC2=C(C=C1)OC(=N2)C3=CC=CC=C3.O

Isomeric SMILES

CC(CO)C1=CC2=C(C=C1)OC(=N2)C3=CC=CC=C3.CC(CO)C1=CC2=C(C=C1)OC(=N2)C3=CC=CC=C3.CC(CO)C1=CC2=C(C=C1)OC(=N2)C3=CC=CC=C3.CC(CO)C1=CC2=C(C=C1)OC(=N2)C3=CC=CC=C3.O

InChI

InChI=1S/4C16H15NO2.H2O/c4*1-11(10-18)13-7-8-15-14(9-13)17-16(19-15)12-5-3-2-4-6-12;/h4*2-9,11,18H,10H2,1H3;1H2