octadecyl 3-(4-azanyl-3-tert-butyl-5-methyl-phenyl)sulfanylpropanoate

Systemtic Name: octadecyl 3-(4-azanyl-3-tert-butyl-5-methyl-phenyl)sulfanylpropanoate Openeye Name: octadecyl 3-(4-amino-3-tert-butyl-5-methyl-phenyl)sulfanylpropanoate CAS Name: 3-[(4-amino-3-tert-butyl-5-methylphenyl)thio]propanoic acid octadecyl ester IUPAC Name: octadecyl 3-(4-amino-3-tert-butyl-5-methylphenyl)sulfanylpropanoate Traditional Name: 3-[(4-amino-3-tert-butyl-5-methyl-phenyl)thio]propionic acid stearyl ester Formula: C32H57NO2S MolecularWeight: 519.86548

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)CCSC1=CC(=C(C(=C1)C)N)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)CCSC1=CC(=C(C(=C1)C)N)C(C)(C)C

InChI

InChI=1S/C32H57NO2S/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-35-30(34)22-24-36-28-25-27(2)31(33)29(26-28)32(3,4)5/h25-26H,6-24,33H2,1-5H3