docosyl 2-oxidanylbenzoate; 2-oxidanylbenzoate

Systemtic Name: docosyl 2-oxidanylbenzoate; 2-oxidanylbenzoate Openeye Name: docosyl 2-hydroxybenzoate; 2-hydroxybenzoate CAS Name: 2-hydroxybenzoate; 2-hydroxybenzoic acid docosyl ester IUPAC Name: docosyl 2-hydroxybenzoate; 2-hydroxybenzoate Traditional Name: 2-hydroxybenzoic acid behenyl ester; salicylate Formula: C36H55O6- MolecularWeight: 583.8183

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCOC(=O)C1=CC=CC=C1O.C1=CC=C(C(=C1)C(=O)[O-])O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCOC(=O)C1=CC=CC=C1O.C1=CC=C(C(=C1)C(=O)[O-])O

InChI

InChI=1S/C29H50O3.C7H6O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-26-32-29(31)27-24-21-22-25-28(27)30;8-6-4-2-1-3-5(6)7(9)10/h21-22,24-25,30H,2-20,23,26H2,1H3;1-4,8H,(H,9,10)/p-1