3-[anthracen-9-ylmethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl 4-methylbenzenesulfonate

Systemtic Name: 3-[anthracen-9-ylmethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl 4-methylbenzenesulfonate Openeye Name: 3-[9-anthrylmethyl(tert-butoxycarbonyl)amino]propyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3-[9-anthracenylmethyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propyl ester IUPAC Name: 3-[anthracen-9-ylmethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3-[9-anthrylmethyl(tert-butoxycarbonyl)amino]propyl ester Formula: C30H33NO5S MolecularWeight: 519.65172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCN(CC2=C3C=CC=CC3=CC4=CC=CC=C42)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCN(CC2=C3C=CC=CC3=CC4=CC=CC=C42)C(=O)OC(C)(C)C

InChI

InChI=1S/C30H33NO5S/c1-22-14-16-25(17-15-22)37(33,34)35-19-9-18-31(29(32)36-30(2,3)4)21-28-26-12-7-5-10-23(26)20-24-11-6-8-13-27(24)28/h5-8,10-17,20H,9,18-19,21H2,1-4H3