(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl-propan-2-yl-azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: (5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl-propan-2-yl-azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: (Z)-4-hydroxy-4-oxo-but-2-enoate; isopropyl-[(5-methyl-2,3-dihydrobenzofuran-2-yl)methyl]ammonium CAS Name: (Z)-4-hydroxy-4-oxo-2-butenoate; (5-methyl-2,3-dihydrobenzofuran-2-yl)methyl-propan-2-ylammonium IUPAC Name: (Z)-4-hydroxy-4-oxobut-2-enoate; (5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl-propan-2-ylazanium Traditional Name: (Z)-4-hydroxy-4-keto-but-2-enoate; isopropyl-[(5-methylcoumaran-2-yl)methyl]ammonium Formula: C17H23NO5 MolecularWeight: 321.36822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(C2)C[NH2+]C(C)C.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)OC(C2)C[NH2+]C(C)C.C(=C\C(=O)[O-])\C(=O)O

InChI

InChI=1S/C13H19NO.C4H4O4/c1-9(2)14-8-12-7-11-6-10(3)4-5-13(11)15-12;5-3(6)1-2-4(7)8/h4-6,9,12,14H,7-8H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-