[5-dodecylsulfanyl-4-(4-methoxyphenyl)-2-octoxy-phenyl]iminoazanium

Systemtic Name: [5-dodecylsulfanyl-4-(4-methoxyphenyl)-2-octoxy-phenyl]iminoazanium Openeye Name: [5-dodecylsulfanyl-4-(4-methoxyphenyl)-2-octoxy-phenyl]iminoammonium CAS Name: [5-(dodecylthio)-4-(4-methoxyphenyl)-2-octoxyphenyl]iminoammonium IUPAC Name: [5-dodecylsulfanyl-4-(4-methoxyphenyl)-2-octoxyphenyl]iminoazanium Traditional Name: [5-(laurylthio)-4-(4-methoxyphenyl)-2-octoxy-phenyl]iminoammonium Formula: C33H53N2O2S+ MolecularWeight: 541.85112

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC1=CC(=C(C=C1C2=CC=C(C=C2)OC)OCCCCCCCC)N=[NH2+]

Isomeric SMILES

CCCCCCCCCCCCSC1=CC(=C(C=C1C2=CC=C(C=C2)OC)OCCCCCCCC)N=[NH2+]

InChI

InChI=1S/C33H52N2O2S/c1-4-6-8-10-12-13-14-15-17-19-25-38-33-27-31(35-34)32(37-24-18-16-11-9-7-5-2)26-30(33)28-20-22-29(36-3)23-21-28/h20-23,26-27,34H,4-19,24-25H2,1-3H3/p+1