3,5-bis(dodecylsulfanyl)-2-nitro-benzoic acid

Systemtic Name: 3,5-bis(dodecylsulfanyl)-2-nitro-benzoic acid Openeye Name: 3,5-bis(dodecylsulfanyl)-2-nitro-benzoic acid CAS Name: 3,5-bis(dodecylthio)-2-nitrobenzoic acid IUPAC Name: 3,5-bis(dodecylsulfanyl)-2-nitrobenzoic acid Traditional Name: 3,5-bis(laurylthio)-2-nitro-benzoic acid Formula: C31H53NO4S2 MolecularWeight: 567.88682

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC1=CC(=C(C(=C1)C(=O)O)[N+](=O)[O-])SCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCSC1=CC(=C(C(=C1)C(=O)O)[N+](=O)[O-])SCCCCCCCCCCCC

InChI

InChI=1S/C31H53NO4S2/c1-3-5-7-9-11-13-15-17-19-21-23-37-27-25-28(31(33)34)30(32(35)36)29(26-27)38-24-22-20-18-16-14-12-10-8-6-4-2/h25-26H,3-24H2,1-2H3,(H,33,34)