diethyl-[2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-oxidanylidene-ethyl]azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: diethyl-[2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-oxidanylidene-ethyl]azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: diethyl-[2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-oxo-ethyl]ammonium; (Z)-4-hydroxy-4-oxo-but-2-enoate CAS Name: diethyl-[2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-oxoethyl]ammonium; (Z)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: diethyl-[2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-oxoethyl]azanium; (Z)-4-hydroxy-4-oxobut-2-enoate Traditional Name: diethyl-[2-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-keto-ethyl]ammonium; (Z)-4-hydroxy-4-keto-but-2-enoate Formula: C22H29NO5 MolecularWeight: 387.46936

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC(=O)C1=C2CCCC2=CC3=C1CCC3.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

CC[NH+](CC)CC(=O)C1=C2CCCC2=CC3=C1CCC3.C(=C\C(=O)[O-])\C(=O)O

InChI

InChI=1S/C18H25NO.C4H4O4/c1-3-19(4-2)12-17(20)18-15-9-5-7-13(15)11-14-8-6-10-16(14)18;5-3(6)1-2-4(7)8/h11H,3-10,12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-