[2-[1-(9H-fluoren-9-ylmethoxycarbonylamino)propyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-[1-(9H-fluoren-9-ylmethoxycarbonylamino)propyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [2-[1-(9H-fluoren-9-ylmethoxycarbonylamino)propyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-[1-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]propyl]phenyl] ester IUPAC Name: [2-[1-(9H-fluoren-9-ylmethoxycarbonylamino)propyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-[1-(9H-fluoren-9-ylmethoxycarbonylamino)propyl]phenyl] ester Formula: C31H29NO5S MolecularWeight: 527.63066

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1OS(=O)(=O)C2=CC=C(C=C2)C)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

Isomeric SMILES

CCC(C1=CC=CC=C1OS(=O)(=O)C2=CC=C(C=C2)C)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

InChI

InChI=1S/C31H29NO5S/c1-3-29(27-14-8-9-15-30(27)37-38(34,35)22-18-16-21(2)17-19-22)32-31(33)36-20-28-25-12-6-4-10-23(25)24-11-5-7-13-26(24)28/h4-19,28-29H,3,20H2,1-2H3,(H,32,33)