azane; 5-[1-(3-carboxy-5-chloranyl-4-oxidanyl-phenyl)-4-[octadecoxy(oxidanyl)phosphoryl]oxy-but-1-enyl]-3-chloranyl-2-oxidanyl-benzoic acid

Systemtic Name: azane; 5-[1-(3-carboxy-5-chloranyl-4-oxidanyl-phenyl)-4-[octadecoxy(oxidanyl)phosphoryl]oxy-but-1-enyl]-3-chloranyl-2-oxidanyl-benzoic acid Openeye Name: ammonia; 5-[1-(3-carboxy-5-chloro-4-hydroxy-phenyl)-4-[hydroxy(octadecoxy)phosphoryl]oxy-but-1-enyl]-3-chloro-2-hydroxy-benzoic acid CAS Name: ammonia; 5-[1-(3-carboxy-5-chloro-4-hydroxyphenyl)-4-[hydroxy(octadecoxy)phosphoryl]oxybut-1-enyl]-3-chloro-2-hydroxybenzoic acid IUPAC Name: azane; 5-[1-(3-carboxy-5-chloro-4-hydroxyphenyl)-4-[hydroxy(octadecoxy)phosphoryl]oxybut-1-enyl]-3-chloro-2-hydroxybenzoic acid Traditional Name: ammonia; 5-[1-(3-carboxy-5-chloro-4-hydroxy-phenyl)-4-[hydroxy(stearyloxy)phosphoryl]oxy-but-1-enyl]-3-chloro-2-hydroxy-benzoic acid Formula: C36H54Cl2NO10P MolecularWeight: 762.694421

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOP(=O)(O)OCCC=C(C1=CC(=C(C(=C1)Cl)O)C(=O)O)C2=CC(=C(C(=C2)Cl)O)C(=O)O.N

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOP(=O)(O)OCCC=C(C1=CC(=C(C(=C1)Cl)O)C(=O)O)C2=CC(=C(C(=C2)Cl)O)C(=O)O.N

InChI

InChI=1S/C36H51Cl2O10P.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-47-49(45,46)48-21-18-19-28(26-22-29(35(41)42)33(39)31(37)24-26)27-23-30(36(43)44)34(40)32(38)25-27;/h19,22-25,39-40H,2-18,20-21H2,1H3,(H,41,42)(H,43,44)(H,45,46);1H3