octacosyl 2-oxidanylbenzoate; 2-oxidanylbenzoate

Systemtic Name: octacosyl 2-oxidanylbenzoate; 2-oxidanylbenzoate Openeye Name: 2-hydroxybenzoate; octacosyl 2-hydroxybenzoate CAS Name: 2-hydroxybenzoate; 2-hydroxybenzoic acid octacosyl ester IUPAC Name: 2-hydroxybenzoate; octacosyl 2-hydroxybenzoate Traditional Name: 2-hydroxybenzoic acid montanyl ester; salicylate Formula: C42H67O6- MolecularWeight: 667.97778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H62O3.C7H6O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-29-32-38-35(37)33-30-27-28-31-34(33)36;8-6-4-2-1-3-5(6)7(9)10/h27-28,30-31,36H,2-26,29,32H2,1H3;1-4,8H,(H,9,10)/p-1