2,3-bis(hexylsulfanyl)-6-nitro-naphthalene-1,4-dione

Systemtic Name: 2,3-bis(hexylsulfanyl)-6-nitro-naphthalene-1,4-dione Openeye Name: 2,3-bis(hexylsulfanyl)-6-nitro-naphthalene-1,4-dione CAS Name: 2,3-bis(hexylthio)-6-nitronaphthalene-1,4-dione IUPAC Name: 2,3-bis(hexylsulfanyl)-6-nitronaphthalene-1,4-dione Traditional Name: 2,3-bis(hexylthio)-6-nitro-1,4-naphthoquinone Formula: C22H29NO4S2 MolecularWeight: 435.59996

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=C(C(=O)C2=C(C1=O)C=CC(=C2)[N+](=O)[O-])SCCCCCC

Isomeric SMILES

CCCCCCSC1=C(C(=O)C2=C(C1=O)C=CC(=C2)[N+](=O)[O-])SCCCCCC

InChI

InChI=1S/C22H29NO4S2/c1-3-5-7-9-13-28-21-19(24)17-12-11-16(23(26)27)15-18(17)20(25)22(21)29-14-10-8-6-4-2/h11-12,15H,3-10,13-14H2,1-2H3