sodium; 4-tert-butylphenol; 2-carboxyphenolate; methanal

Systemtic Name: sodium; 4-tert-butylphenol; 2-carboxyphenolate; methanal Openeye Name: sodium; 4-tert-butylphenol; 2-carboxyphenolate; formaldehyde CAS Name: sodium; 4-tert-butylphenol; 2-carboxyphenolate; formaldehyde IUPAC Name: sodium; 4-tert-butylphenol; 2-carboxyphenolate; formaldehyde Traditional Name: sodium; 4-tert-butylphenol; 2-carboxyphenolate; formaldehyde Formula: C18H21NaO5 MolecularWeight: 340.34611

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)O.C=O.C1=CC=C(C(=C1)C(=O)O)[O-].[Na+]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)O.C=O.C1=CC=C(C(=C1)C(=O)O)[O-].[Na+]

InChI

InChI=1S/C10H14O.C7H6O3.CH2O.Na/c1-10(2,3)8-4-6-9(11)7-5-8;8-6-4-2-1-3-5(6)7(9)10;1-2;/h4-7,11H,1-3H3;1-4,8H,(H,9,10);1H2;/q;;;+1/p-1