2-octadecylsulfanylethanamine; 2-oxidanylbenzoate

Systemtic Name: 2-octadecylsulfanylethanamine; 2-oxidanylbenzoate Openeye Name: 2-hydroxybenzoate; 2-octadecylsulfanylethanamine CAS Name: 2-hydroxybenzoate; 2-(octadecylthio)ethanamine IUPAC Name: 2-hydroxybenzoate; 2-octadecylsulfanylethanamine Traditional Name: salicylate; 2-(stearylthio)ethylamine Formula: C27H48NO3S- MolecularWeight: 466.73992

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSCCN.C1=CC=C(C(=C1)C(=O)[O-])O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCSCCN.C1=CC=C(C(=C1)C(=O)[O-])O

InChI

InChI=1S/C20H43NS.C7H6O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-20-18-21;8-6-4-2-1-3-5(6)7(9)10/h2-21H2,1H3;1-4,8H,(H,9,10)/p-1