2-(10,10-dimethyl-9-oxidanyl-anthracen-9-yl)propylazanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: 2-(10,10-dimethyl-9-oxidanyl-anthracen-9-yl)propylazanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: 2-(9-hydroxy-10,10-dimethyl-9-anthryl)propylammonium; (Z)-4-hydroxy-4-oxo-but-2-enoate CAS Name: 2-(9-hydroxy-10,10-dimethyl-9-anthracenyl)propylammonium; (Z)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: 2-(9-hydroxy-10,10-dimethylanthracen-9-yl)propylazanium; (Z)-4-hydroxy-4-oxobut-2-enoate Traditional Name: 2-(9-hydroxy-10,10-dimethyl-9-anthryl)propylammonium; (Z)-4-hydroxy-4-keto-but-2-enoate Formula: C23H27NO5 MolecularWeight: 397.46418

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH3+])C1(C2=CC=CC=C2C(C3=CC=CC=C31)(C)C)O.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

CC(C[NH3+])C1(C2=CC=CC=C2C(C3=CC=CC=C31)(C)C)O.C(=C\C(=O)[O-])\C(=O)O

InChI

InChI=1S/C19H23NO.C4H4O4/c1-13(12-20)19(21)16-10-6-4-8-14(16)18(2,3)15-9-5-7-11-17(15)19;5-3(6)1-2-4(7)8/h4-11,13,21H,12,20H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-