3-azanyl-6-(4-azanyl-2-carboxylato-phenyl)-2,4-bis[6-(4-phenylphenoxy)hexyl]benzoate

Systemtic Name: 3-azanyl-6-(4-azanyl-2-carboxylato-phenyl)-2,4-bis[6-(4-phenylphenoxy)hexyl]benzoate Openeye Name: 3-amino-6-(4-amino-2-carboxylato-phenyl)-2,4-bis[6-(4-phenylphenoxy)hexyl]benzoate CAS Name: 3-amino-6-(4-amino-2-carboxylatophenyl)-2,4-bis[6-(4-phenylphenoxy)hexyl]benzoate IUPAC Name: 3-amino-6-(4-amino-2-carboxylatophenyl)-2,4-bis[6-(4-phenylphenoxy)hexyl]benzoate Traditional Name: 3-amino-6-(4-amino-2-carboxylato-phenyl)-2,4-bis[6-(4-phenylphenoxy)hexyl]benzoate Formula: C50H50N2O6-2 MolecularWeight: 774.9418

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)OCCCCCCC3=C(C(=C(C(=C3)C4=C(C=C(C=C4)N)C(=O)[O-])C(=O)[O-])CCCCCCOC5=CC=C(C=C5)C6=CC=CC=C6)N

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)OCCCCCCC3=C(C(=C(C(=C3)C4=C(C=C(C=C4)N)C(=O)[O-])C(=O)[O-])CCCCCCOC5=CC=C(C=C5)C6=CC=CC=C6)N

InChI

InChI=1S/C50H52N2O6/c51-40-25-30-43(46(34-40)49(53)54)45-33-39(19-7-1-3-13-31-57-41-26-21-37(22-27-41)35-15-8-5-9-16-35)48(52)44(47(45)50(55)56)20-12-2-4-14-32-58-42-28-23-38(24-29-42)36-17-10-6-11-18-36/h5-6,8-11,15-18,21-30,33-34H,1-4,7,12-14,19-20,31-32,51-52H2,(H,53,54)(H,55,56)/p-2