1,8-bis[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]octan-3-yl 4-methylbenzenesulfonate

Systemtic Name: 1,8-bis[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]octan-3-yl 4-methylbenzenesulfonate Openeye Name: [6-[bis(tert-butoxycarbonyl)amino]-1-[2-[bis(tert-butoxycarbonyl)amino]ethyl]hexyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 1,8-bis[bis[(2-methylpropan-2-yl)oxy-oxomethyl]amino]octan-3-yl ester IUPAC Name: 1,8-bis[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]octan-3-yl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [6-[bis(tert-butoxycarbonyl)amino]-1-[2-[bis(tert-butoxycarbonyl)amino]ethyl]hexyl] ester Formula: C35H58N2O11S MolecularWeight: 714.90682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(CCCCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(CCCCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C35H58N2O11S/c1-25-18-20-27(21-19-25)49(42,43)48-26(22-24-37(30(40)46-34(8,9)10)31(41)47-35(11,12)13)17-15-14-16-23-36(28(38)44-32(2,3)4)29(39)45-33(5,6)7/h18-21,26H,14-17,22-24H2,1-13H3