azane; 5-[1-(3-carboxy-5-chloranyl-4-oxidanyl-phenyl)-4-[hexadecoxy(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-[hexadecoxy(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-[hexadecoxy(hydroxy)phosphoryl]oxy-but-1-enyl]-3-chloro-2-hydroxy-benzoic acid CAS Name: ammonia; 5-[1-(3-carboxy-5-chloro-4-hydroxyphenyl)-4-[hexadecoxy(hydroxy)phosphoryl]oxybut-1-enyl]-3-chloro-2-hydroxybenzoic acid IUPAC Name: azane; 5-[1-(3-carboxy-5-chloro-4-hydroxyphenyl)-4-[hexadecoxy(hydroxy)phosphoryl]oxybut-1-enyl]-3-chloro-2-hydroxybenzoic acid Traditional Name: ammonia; 5-[1-(3-carboxy-5-chloro-4-hydroxy-phenyl)-4-[cetyloxy(hydroxy)phosphoryl]oxy-but-1-enyl]-3-chloro-2-hydroxy-benzoic acid Formula: C34H50Cl2NO10P MolecularWeight: 734.641261

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOP(=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

CCCCCCCCCCCCCCCCOP(=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/C34H47Cl2O10P.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-45-47(43,44)46-19-16-17-26(24-20-27(33(39)40)31(37)29(35)22-24)25-21-28(34(41)42)32(38)30(36)23-25;/h17,20-23,37-38H,2-16,18-19H2,1H3,(H,39,40)(H,41,42)(H,43,44);1H3