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

Systemtic Name: azane; 5-[1-(3-carboxy-5-chloranyl-4-oxidanyl-phenyl)-4-[oxidanyl(tetradecoxy)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(tetradecoxy)phosphoryl]oxy-but-1-enyl]-3-chloro-2-hydroxy-benzoic acid CAS Name: ammonia; 5-[1-(3-carboxy-5-chloro-4-hydroxyphenyl)-4-[hydroxy(tetradecoxy)phosphoryl]oxybut-1-enyl]-3-chloro-2-hydroxybenzoic acid IUPAC Name: azane; 5-[1-(3-carboxy-5-chloro-4-hydroxyphenyl)-4-[hydroxy(tetradecoxy)phosphoryl]oxybut-1-enyl]-3-chloro-2-hydroxybenzoic acid Traditional Name: ammonia; 5-[1-(3-carboxy-5-chloro-4-hydroxy-phenyl)-4-[hydroxy(myristyloxy)phosphoryl]oxy-but-1-enyl]-3-chloro-2-hydroxy-benzoic acid Formula: C32H46Cl2NO10P MolecularWeight: 706.588101

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOP(=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

CCCCCCCCCCCCCCOP(=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/C32H43Cl2O10P.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-43-45(41,42)44-17-14-15-24(22-18-25(31(37)38)29(35)27(33)20-22)23-19-26(32(39)40)30(36)28(34)21-23;/h15,18-21,35-36H,2-14,16-17H2,1H3,(H,37,38)(H,39,40)(H,41,42);1H3