(4,4-diphenylcycloheptyl)azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: (4,4-diphenylcycloheptyl)azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: (4,4-diphenylcycloheptyl)ammonium; (Z)-4-hydroxy-4-oxo-but-2-enoate CAS Name: (4,4-diphenylcycloheptyl)ammonium; (Z)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: (4,4-diphenylcycloheptyl)azanium; (Z)-4-hydroxy-4-oxobut-2-enoate Traditional Name: (4,4-diphenylcycloheptyl)ammonium; (Z)-4-hydroxy-4-keto-but-2-enoate Formula: C23H27NO4 MolecularWeight: 381.46478

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC(C1)(C2=CC=CC=C2)C3=CC=CC=C3)[NH3+].C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

C1CC(CCC(C1)(C2=CC=CC=C2)C3=CC=CC=C3)[NH3+].C(=C\C(=O)[O-])\C(=O)O

InChI

InChI=1S/C19H23N.C4H4O4/c20-18-12-7-14-19(15-13-18,16-8-3-1-4-9-16)17-10-5-2-6-11-17;5-3(6)1-2-4(7)8/h1-6,8-11,18H,7,12-15,20H2;1-2H,(H,5,6)(H,7,8)/b;2-1-