[4-(2-carboxyphenyl)carbonyl-3-oxidanyl-phenyl]-dicyclohexyl-methyl-azanium

Systemtic Name: [4-(2-carboxyphenyl)carbonyl-3-oxidanyl-phenyl]-dicyclohexyl-methyl-azanium Openeye Name: [4-(2-carboxybenzoyl)-3-hydroxy-phenyl]-dicyclohexyl-methyl-ammonium CAS Name: [4-[(2-carboxyphenyl)-oxomethyl]-3-hydroxyphenyl]-dicyclohexyl-methylammonium IUPAC Name: [4-(2-carboxybenzoyl)-3-hydroxyphenyl]-dicyclohexyl-methylazanium Traditional Name: [4-(2-carboxybenzoyl)-3-hydroxy-phenyl]-dicyclohexyl-methyl-ammonium Formula: C27H34NO4+ MolecularWeight: 436.56316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+](C1CCCCC1)(C2CCCCC2)C3=CC(=C(C=C3)C(=O)C4=CC=CC=C4C(=O)O)O

Isomeric SMILES

C[N+](C1CCCCC1)(C2CCCCC2)C3=CC(=C(C=C3)C(=O)C4=CC=CC=C4C(=O)O)O

InChI

InChI=1S/C27H33NO4/c1-28(19-10-4-2-5-11-19,20-12-6-3-7-13-20)21-16-17-24(25(29)18-21)26(30)22-14-8-9-15-23(22)27(31)32/h8-9,14-20H,2-7,10-13H2,1H3,(H-,29,30,31,32)/p+1