N-docosyl-4-[(E)-2-(3-hexadecyl-2H-1,3-benzothiazol-2-yl)ethenyl]aniline; octadecyl sulfate

Systemtic Name: N-docosyl-4-[(E)-2-(3-hexadecyl-2H-1,3-benzothiazol-2-yl)ethenyl]aniline; octadecyl sulfate Openeye Name: N-docosyl-4-[(E)-2-(3-hexadecyl-2H-1,3-benzothiazol-2-yl)vinyl]aniline; octadecyl sulfate CAS Name: N-docosyl-4-[(E)-2-(3-hexadecyl-2H-1,3-benzothiazol-2-yl)ethenyl]aniline; octadecyl sulfate IUPAC Name: N-docosyl-4-[(E)-2-(3-hexadecyl-2H-1,3-benzothiazol-2-yl)ethenyl]aniline; octadecyl sulfate Traditional Name: behenyl-[4-[(E)-2-(3-cetyl-2H-1,3-benzothiazol-2-yl)vinyl]phenyl]amine; stearyl sulfate Formula: C71H127N2O4S2- MolecularWeight: 1136.90908

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C=CC2N(C3=CC=CC=C3S2)CCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCCCOS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCNC1=CC=C(C=C1)/C=C/C2N(C3=CC=CC=C3S2)CCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCCCOS(=O)(=O)[O-]

InChI

InChI=1S/C53H90N2S.C18H38O4S/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-27-29-31-33-37-47-54-50-44-41-49(42-45-50)43-46-53-55(51-39-35-36-40-52(51)56-53)48-38-34-32-30-28-26-18-16-14-12-10-8-6-4-2;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21/h35-36,39-46,53-54H,3-34,37-38,47-48H2,1-2H3;2-18H2,1H3,(H,19,20,21)/p-1/b46-43+;