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

Systemtic Name: 2-azanyl-3-dodecylsulfanyl-naphthalene-1,4-dione Openeye Name: 2-amino-3-dodecylsulfanyl-naphthalene-1,4-dione CAS Name: 2-amino-3-(dodecylthio)naphthalene-1,4-dione IUPAC Name: 2-amino-3-dodecylsulfanylnaphthalene-1,4-dione Traditional Name: 2-amino-3-(laurylthio)-1,4-naphthoquinone Formula: C22H31NO2S MolecularWeight: 373.55204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC1=C(C(=O)C2=CC=CC=C2C1=O)N

Isomeric SMILES

CCCCCCCCCCCCSC1=C(C(=O)C2=CC=CC=C2C1=O)N

InChI

InChI=1S/C22H31NO2S/c1-2-3-4-5-6-7-8-9-10-13-16-26-22-19(23)20(24)17-14-11-12-15-18(17)21(22)25/h11-12,14-15H,2-10,13,16,23H2,1H3