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

Systemtic Name: [(E,6R,7S)-7-azanyl-6,8-bis(oxidanyl)oct-4-enyl] 6-pyren-1-ylhexanoate Openeye Name: [(E,6R,7S)-7-amino-6,8-dihydroxy-oct-4-enyl] 6-pyren-1-ylhexanoate CAS Name: 6-(1-pyrenyl)hexanoic acid [(E,6R,7S)-7-amino-6,8-dihydroxyoct-4-enyl] ester IUPAC Name: [(E,6R,7S)-7-amino-6,8-dihydroxyoct-4-enyl] 6-pyren-1-ylhexanoate Traditional Name: 6-pyren-1-ylhexanoic acid [(E,6R,7S)-7-amino-6,8-dihydroxy-oct-4-enyl] ester Formula: C30H35NO4 MolecularWeight: 473.6032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H35NO4/c31-26(20-32)27(33)11-4-2-6-19-35-28(34)12-5-1-3-8-21-13-14-24-16-15-22-9-7-10-23-17-18-25(21)30(24)29(22)23/h4,7,9-11,13-18,26-27,32-33H,1-3,5-6,8,12,19-20,31H2/b11-4+/t26-,27+/m0/s1