[3-[2-[4-(4-ethanimidoylphenyl)-2-propyl-phenoxy]ethoxy]phenyl] hydrogen sulfate

Systemtic Name: [3-[2-[4-(4-ethanimidoylphenyl)-2-propyl-phenoxy]ethoxy]phenyl] hydrogen sulfate Openeye Name: [3-[2-[4-(4-ethanimidoylphenyl)-2-propyl-phenoxy]ethoxy]phenyl] hydrogen sulfate CAS Name: sulfuric acid [3-[2-[4-[4-(1-iminoethyl)phenyl]-2-propylphenoxy]ethoxy]phenyl] ester IUPAC Name: [3-[2-[4-(4-ethanimidoylphenyl)-2-propylphenoxy]ethoxy]phenyl] hydrogen sulfate Traditional Name: sulfuric acid [3-[2-[4-(4-acetimidoylphenyl)-2-propyl-phenoxy]ethoxy]phenyl] ester Formula: C25H27NO6S MolecularWeight: 469.54998

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)C2=CC=C(C=C2)C(=N)C)OCCOC3=CC(=CC=C3)OS(=O)(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1)C2=CC=C(C=C2)C(=N)C)OCCOC3=CC(=CC=C3)OS(=O)(=O)O

InChI

InChI=1S/C25H27NO6S/c1-3-5-22-16-21(20-10-8-19(9-11-20)18(2)26)12-13-25(22)31-15-14-30-23-6-4-7-24(17-23)32-33(27,28)29/h4,6-13,16-17,26H,3,5,14-15H2,1-2H3,(H,27,28,29)