2-azanyl-3-hexadecylsulfanyl-naphthalene-1,4-dione

Systemtic Name: 2-azanyl-3-hexadecylsulfanyl-naphthalene-1,4-dione Openeye Name: 2-amino-3-hexadecylsulfanyl-naphthalene-1,4-dione CAS Name: 2-amino-3-(hexadecylthio)naphthalene-1,4-dione IUPAC Name: 2-amino-3-hexadecylsulfanylnaphthalene-1,4-dione Traditional Name: 2-amino-3-(cetylthio)-1,4-naphthoquinone Formula: C26H39NO2S MolecularWeight: 429.65836

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSC1=C(C(=O)C2=CC=CC=C2C1=O)N

Isomeric SMILES

CCCCCCCCCCCCCCCCSC1=C(C(=O)C2=CC=CC=C2C1=O)N

InChI

InChI=1S/C26H39NO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-30-26-23(27)24(28)21-18-15-16-19-22(21)25(26)29/h15-16,18-19H,2-14,17,20,27H2,1H3