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

Systemtic Name: 2-azanyl-3-octadecylsulfanyl-naphthalene-1,4-dione Openeye Name: 2-amino-3-octadecylsulfanyl-naphthalene-1,4-dione CAS Name: 2-amino-3-(octadecylthio)naphthalene-1,4-dione IUPAC Name: 2-amino-3-octadecylsulfanylnaphthalene-1,4-dione Traditional Name: 2-amino-3-(stearylthio)-1,4-naphthoquinone Formula: C28H43NO2S MolecularWeight: 457.71152

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSC1=C(C(=O)C2=CC=CC=C2C1=O)N

Isomeric SMILES

CCCCCCCCCCCCCCCCCCSC1=C(C(=O)C2=CC=CC=C2C1=O)N

InChI

InChI=1S/C28H43NO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-32-28-25(29)26(30)23-20-17-18-21-24(23)27(28)31/h17-18,20-21H,2-16,19,22,29H2,1H3