[2-[(4-tert-butylphenyl)amino]-2-oxidanylidene-ethyl] 3,4,5-tris(oxidanyl)benzoate

Systemtic Name: [2-[(4-tert-butylphenyl)amino]-2-oxidanylidene-ethyl] 3,4,5-tris(oxidanyl)benzoate Openeye Name: [2-(4-tert-butylanilino)-2-oxo-ethyl] 3,4,5-trihydroxybenzoate CAS Name: 3,4,5-trihydroxybenzoic acid [2-(4-tert-butylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-tert-butylanilino)-2-oxoethyl] 3,4,5-trihydroxybenzoate Traditional Name: 3,4,5-trihydroxybenzoic acid [2-(4-tert-butylanilino)-2-keto-ethyl] ester Formula: C19H21NO6 MolecularWeight: 359.37314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC(=C(C(=C2)O)O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC(=C(C(=C2)O)O)O

InChI

InChI=1S/C19H21NO6/c1-19(2,3)12-4-6-13(7-5-12)20-16(23)10-26-18(25)11-8-14(21)17(24)15(22)9-11/h4-9,21-22,24H,10H2,1-3H3,(H,20,23)