[(E,6R,7S)-7-azanyl-6,8-bis(oxidanyl)oct-4-enyl] 10-pyren-1-yldecanoate

Systemtic Name: [(E,6R,7S)-7-azanyl-6,8-bis(oxidanyl)oct-4-enyl] 10-pyren-1-yldecanoate Openeye Name: [(E,6R,7S)-7-amino-6,8-dihydroxy-oct-4-enyl] 10-pyren-1-yldecanoate CAS Name: 10-(1-pyrenyl)decanoic acid [(E,6R,7S)-7-amino-6,8-dihydroxyoct-4-enyl] ester IUPAC Name: [(E,6R,7S)-7-amino-6,8-dihydroxyoct-4-enyl] 10-pyren-1-yldecanoate Traditional Name: 10-pyren-1-ylcapric acid [(E,6R,7S)-7-amino-6,8-dihydroxy-oct-4-enyl] ester Formula: C34H43NO4 MolecularWeight: 529.70952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H43NO4/c35-30(24-36)31(37)15-8-6-10-23-39-32(38)16-9-5-3-1-2-4-7-12-25-17-18-28-20-19-26-13-11-14-27-21-22-29(25)34(28)33(26)27/h8,11,13-15,17-22,30-31,36-37H,1-7,9-10,12,16,23-24,35H2/b15-8+/t30-,31+/m0/s1