[1-(naphthalen-1-ylmethoxy)-4-phenyl-butan-2-yl] hydrogen sulfate

Systemtic Name: [1-(naphthalen-1-ylmethoxy)-4-phenyl-butan-2-yl] hydrogen sulfate Openeye Name: [1-(1-naphthylmethoxymethyl)-3-phenyl-propyl] hydrogen sulfate CAS Name: sulfuric acid [1-(1-naphthalenylmethoxy)-4-phenylbutan-2-yl] ester IUPAC Name: [1-(naphthalen-1-ylmethoxy)-4-phenylbutan-2-yl] hydrogen sulfate Traditional Name: sulfuric acid [1-(1-naphthylmethoxymethyl)-3-phenyl-propyl] ester Formula: C21H22O5S MolecularWeight: 386.46138

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(COCC2=CC=CC3=CC=CC=C32)OS(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCC(COCC2=CC=CC3=CC=CC=C32)OS(=O)(=O)O

InChI

InChI=1S/C21H22O5S/c22-27(23,24)26-20(14-13-17-7-2-1-3-8-17)16-25-15-19-11-6-10-18-9-4-5-12-21(18)19/h1-12,20H,13-16H2,(H,22,23,24)