5-[[2-decanoyloxy-3-[2-hydroxyethyloxy(oxidanyl)phosphoryl]oxy-propyl]disulfanyl]-2-nitro-benzoic acid

Systemtic Name: 5-[[2-decanoyloxy-3-[2-hydroxyethyloxy(oxidanyl)phosphoryl]oxy-propyl]disulfanyl]-2-nitro-benzoic acid Openeye Name: 5-[[2-decanoyloxy-3-[hydroxy(2-hydroxyethoxy)phosphoryl]oxy-propyl]disulfanyl]-2-nitro-benzoic acid CAS Name: 5-[[3-[hydroxy(2-hydroxyethoxy)phosphoryl]oxy-2-(1-oxodecoxy)propyl]disulfanyl]-2-nitrobenzoic acid IUPAC Name: 5-[[2-decanoyloxy-3-[hydroxy(2-hydroxyethoxy)phosphoryl]oxypropyl]disulfanyl]-2-nitrobenzoic acid Traditional Name: 5-[[2-capryloxy-3-[hydroxy(2-hydroxyethoxy)phosphoryl]oxy-propyl]disulfanyl]-2-nitro-benzoic acid Formula: C22H34NO11PS2 MolecularWeight: 583.609221

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)OC(COP(=O)(O)OCCO)CSSC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCCCCCCCCC(=O)OC(COP(=O)(O)OCCO)CSSC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C22H34NO11PS2/c1-2-3-4-5-6-7-8-9-21(25)34-17(15-33-35(30,31)32-13-12-24)16-36-37-18-10-11-20(23(28)29)19(14-18)22(26)27/h10-11,14,17,24H,2-9,12-13,15-16H2,1H3,(H,26,27)(H,30,31)