octadecan-1-amine; 4-phenylsulfanylphenol

Systemtic Name: octadecan-1-amine; 4-phenylsulfanylphenol Openeye Name: octadecan-1-amine; 4-phenylsulfanylphenol CAS Name: 1-octadecanamine; 4-(phenylthio)phenol IUPAC Name: octadecan-1-amine; 4-phenylsulfanylphenol Traditional Name: 4-(phenylthio)phenol; stearylamine Formula: C30H49NOS MolecularWeight: 471.78116

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN.C1=CC=C(C=C1)SC2=CC=C(C=C2)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN.C1=CC=C(C=C1)SC2=CC=C(C=C2)O

InChI

InChI=1S/C18H39N.C12H10OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h2-19H2,1H3;1-9,13H