azane; terephthalic acid; 3,5,5-trimethylcyclohex-2-en-1-one

Systemtic Name: azane; terephthalic acid; 3,5,5-trimethylcyclohex-2-en-1-one Openeye Name: ammonia; terephthalic acid; 3,5,5-trimethylcyclohex-2-en-1-one CAS Name: ammonia; terephthalic acid; 3,5,5-trimethyl-1-cyclohex-2-enone IUPAC Name: azane; terephthalic acid; 3,5,5-trimethylcyclohex-2-en-1-one Traditional Name: ammonia; terephthalic acid; 3,5,5-trimethylcyclohex-2-en-1-one Formula: C17H26N2O5 MolecularWeight: 338.39874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)CC(C1)(C)C.C1=CC(=CC=C1C(=O)O)C(=O)O.N.N

Isomeric SMILES

CC1=CC(=O)CC(C1)(C)C.C1=CC(=CC=C1C(=O)O)C(=O)O.N.N

InChI

InChI=1S/C9H14O.C8H6O4.2H3N/c1-7-4-8(10)6-9(2,3)5-7;9-7(10)5-1-2-6(4-3-5)8(11)12;;/h4H,5-6H2,1-3H3;1-4H,(H,9,10)(H,11,12);2*1H3