(E)-4-oxidanyl-4-oxidanylidene-but-2-enoate; propan-2-yl(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)azanium

Systemtic Name: (E)-4-oxidanyl-4-oxidanylidene-but-2-enoate; propan-2-yl(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)azanium Openeye Name: (E)-4-hydroxy-4-oxo-but-2-enoate; isopropyl(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)ammonium CAS Name: (E)-4-hydroxy-4-oxo-2-butenoate; propan-2-yl(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)ammonium IUPAC Name: (E)-4-hydroxy-4-oxobut-2-enoate; propan-2-yl(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)azanium Traditional Name: (E)-4-hydroxy-4-keto-but-2-enoate; isopropyl(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)ammonium Formula: C17H23NO5 MolecularWeight: 321.36822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH2+]C1CCCOC2=CC=CC=C12.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

CC(C)[NH2+]C1CCCOC2=CC=CC=C12.C(=C/C(=O)[O-])\C(=O)O

InChI

InChI=1S/C13H19NO.C4H4O4/c1-10(2)14-12-7-5-9-15-13-8-4-3-6-11(12)13;5-3(6)1-2-4(7)8/h3-4,6,8,10,12,14H,5,7,9H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+