[(E,13R,14S)-14-azanyl-13,15-bis(oxidanyl)pentadec-11-enyl] pyrene-1-carboxylate

Systemtic Name: [(E,13R,14S)-14-azanyl-13,15-bis(oxidanyl)pentadec-11-enyl] pyrene-1-carboxylate Openeye Name: [(E,13R,14S)-14-amino-13,15-dihydroxy-pentadec-11-enyl] pyrene-1-carboxylate CAS Name: 1-pyrenecarboxylic acid [(E,13R,14S)-14-amino-13,15-dihydroxypentadec-11-enyl] ester IUPAC Name: [(E,13R,14S)-14-amino-13,15-dihydroxypentadec-11-enyl] pyrene-1-carboxylate Traditional Name: pyrene-1-carboxylic acid [(E,13R,14S)-14-amino-13,15-dihydroxy-pentadec-11-enyl] ester Formula: C32H39NO4 MolecularWeight: 501.65636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)C(=O)OCCCCCCCCCCC=CC(C(CO)N)O

Isomeric SMILES

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)C(=O)OCCCCCCCCCC/C=C/[C@H]([C@H](CO)N)O

InChI

InChI=1S/C32H39NO4/c33-28(22-34)29(35)14-9-7-5-3-1-2-4-6-8-10-21-37-32(36)27-20-18-25-16-15-23-12-11-13-24-17-19-26(27)31(25)30(23)24/h9,11-20,28-29,34-35H,1-8,10,21-22,33H2/b14-9+/t28-,29+/m0/s1