6-[anthracen-9-ylmethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexyl methanesulfonate

Systemtic Name: 6-[anthracen-9-ylmethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexyl methanesulfonate Openeye Name: 6-[9-anthrylmethyl(tert-butoxycarbonyl)amino]hexyl methanesulfonate CAS Name: methanesulfonic acid 6-[9-anthracenylmethyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]hexyl ester IUPAC Name: 6-[anthracen-9-ylmethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexyl methanesulfonate Traditional Name: methanesulfonic acid 6-[9-anthrylmethyl(tert-butoxycarbonyl)amino]hexyl ester Formula: C27H35NO5S MolecularWeight: 485.6355

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CCCCCCOS(=O)(=O)C)CC1=C2C=CC=CC2=CC3=CC=CC=C31

Isomeric SMILES

CC(C)(C)OC(=O)N(CCCCCCOS(=O)(=O)C)CC1=C2C=CC=CC2=CC3=CC=CC=C31

InChI

InChI=1S/C27H35NO5S/c1-27(2,3)33-26(29)28(17-11-5-6-12-18-32-34(4,30)31)20-25-23-15-9-7-13-21(23)19-22-14-8-10-16-24(22)25/h7-10,13-16,19H,5-6,11-12,17-18,20H2,1-4H3