9H-fluoren-9-ylmethyl (E,3S)-7-octanoylsulfanyl-3-oxidanyl-hept-4-enoate

Systemtic Name: 9H-fluoren-9-ylmethyl (E,3S)-7-octanoylsulfanyl-3-oxidanyl-hept-4-enoate Openeye Name: 9H-fluoren-9-ylmethyl (E,3S)-3-hydroxy-7-octanoylsulfanyl-hept-4-enoate CAS Name: (E,3S)-3-hydroxy-7-(1-oxooctylthio)-4-heptenoic acid 9H-fluoren-9-ylmethyl ester IUPAC Name: 9H-fluoren-9-ylmethyl (E,3S)-3-hydroxy-7-octanoylsulfanylhept-4-enoate Traditional Name: (E,3S)-7-(caprylylthio)-3-hydroxy-hept-4-enoic acid 9H-fluoren-9-ylmethyl ester Formula: C29H36O4S MolecularWeight: 480.65874

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)SCCC=CC(CC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)O

Isomeric SMILES

CCCCCCCC(=O)SCC/C=C/[C@H](CC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)O

InChI

InChI=1S/C29H36O4S/c1-2-3-4-5-6-18-29(32)34-19-12-11-13-22(30)20-28(31)33-21-27-25-16-9-7-14-23(25)24-15-8-10-17-26(24)27/h7-11,13-17,22,27,30H,2-6,12,18-21H2,1H3/b13-11+/t22-/m1/s1