[2-[4-(hydroxymethyl)-2-phenyl-4,5-dihydro-1,3-oxazol-5-yl]-5-methyl-phenyl] hydrogen sulfate

Systemtic Name: [2-[4-(hydroxymethyl)-2-phenyl-4,5-dihydro-1,3-oxazol-5-yl]-5-methyl-phenyl] hydrogen sulfate Openeye Name: [2-[4-(hydroxymethyl)-2-phenyl-4,5-dihydrooxazol-5-yl]-5-methyl-phenyl] hydrogen sulfate CAS Name: sulfuric acid [2-[4-(hydroxymethyl)-2-phenyl-4,5-dihydrooxazol-5-yl]-5-methylphenyl] ester IUPAC Name: [2-[4-(hydroxymethyl)-2-phenyl-4,5-dihydro-1,3-oxazol-5-yl]-5-methylphenyl] hydrogen sulfate Traditional Name: sulfuric acid [5-methyl-2-(4-methylol-2-phenyl-2-oxazolin-5-yl)phenyl] ester Formula: C17H17NO6S MolecularWeight: 363.38498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2C(N=C(O2)C3=CC=CC=C3)CO)OS(=O)(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C2C(N=C(O2)C3=CC=CC=C3)CO)OS(=O)(=O)O

InChI

InChI=1S/C17H17NO6S/c1-11-7-8-13(15(9-11)24-25(20,21)22)16-14(10-19)18-17(23-16)12-5-3-2-4-6-12/h2-9,14,16,19H,10H2,1H3,(H,20,21,22)