[3-methyl-1,1,2,4,4,4-hexakis(methylsulfonyloxy)-1-methylsulfonylperoxy-3-(perylen-3-ylmethylamino)butan-2-yl] methanesulfonate; [2-methyl-4-oxidanyl-2-(perylen-3-ylmethylamino)butyl] methanesulfonate

Systemtic Name: [3-methyl-1,1,2,4,4,4-hexakis(methylsulfonyloxy)-1-methylsulfonylperoxy-3-(perylen-3-ylmethylamino)butan-2-yl] methanesulfonate; [2-methyl-4-oxidanyl-2-(perylen-3-ylmethylamino)butyl] methanesulfonate Openeye Name: [1-[bis(methylsulfonyloxy)-methylsulfonylperoxy-methyl]-2-methyl-1,3,3,3-tetrakis(methylsulfonyloxy)-2-(perylen-3-ylmethylamino)propyl] methanesulfonate; [4-hydroxy-2-methyl-2-(perylen-3-ylmethylamino)butyl] methanesulfonate CAS Name: methanesulfonic acid [4-hydroxy-2-methyl-2-(3-perylenylmethylamino)butyl] ester; methanesulfonic acid [3-methyl-1-methylsulfonyldioxy-1,1,2,4,4,4-hexakis(methylsulfonyloxy)-3-(3-perylenylmethylamino)butan-2-yl] ester IUPAC Name: [4-hydroxy-2-methyl-2-(perylen-3-ylmethylamino)butyl] methanesulfonate; [3-methyl-1,1,2,4,4,4-hexakis(methylsulfonyloxy)-1-methylsulfonylperoxy-3-(perylen-3-ylmethylamino)butan-2-yl] methanesulfonate Traditional Name: methanesulfonic acid [4-hydroxy-2-methyl-2-(perylen-3-ylmethylamino)butyl] ester; methanesulfonic acid [1-[mesylperoxy-bis(methylsulfonyloxy)methyl]-2-methyl-1,3,3,3-tetrakis(methylsulfonyloxy)-2-(perylen-3-ylmethylamino)propyl] ester Formula: C88H95N3O33S10 MolecularWeight: 2043.3462

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCO)(COS(=O)(=O)C)NCC1=CC=C2C3=CC=CC4=C3C(=CC=C4)C5=C2C1=CC=C5.CC(CCO)(COS(=O)(=O)C)NCC1=CC=C2C3=CC=CC4=C3C(=CC=C4)C5=C2C1=CC=C5.CC(C(C(OOS(=O)(=O)C)(OS(=O)(=O)C)OS(=O)(=O)C)(OS(=O)(=O)C)OS(=O)(=O)C)(C(OS(=O)(=O)C)(OS(=O)(=O)C)OS(=O)(=O)C)NCC1=CC=C2C3=CC=CC4=C3C(=CC=C4)C5=C2C1=CC=C5

Isomeric SMILES

CC(CCO)(COS(=O)(=O)C)NCC1=CC=C2C3=CC=CC4=C3C(=CC=C4)C5=C2C1=CC=C5.CC(CCO)(COS(=O)(=O)C)NCC1=CC=C2C3=CC=CC4=C3C(=CC=C4)C5=C2C1=CC=C5.CC(C(C(OOS(=O)(=O)C)(OS(=O)(=O)C)OS(=O)(=O)C)(OS(=O)(=O)C)OS(=O)(=O)C)(C(OS(=O)(=O)C)(OS(=O)(=O)C)OS(=O)(=O)C)NCC1=CC=C2C3=CC=CC4=C3C(=CC=C4)C5=C2C1=CC=C5

InChI

InChI=1S/C34H41NO25S8.2C27H27NO4S/c1-31(33(55-63(4,40)41,56-64(5,42)43)57-65(6,44)45,35-21-23-19-20-28-26-17-11-14-22-13-10-16-25(29(22)26)27-18-12-15-24(23)30(27)28)32(53-61(2,36)37,54-62(3,38)39)34(58-66(7,46)47,59-67(8,48)49)52-60-68(9,50)51;2*1-27(14-15-29,17-32-33(2,30)31)28-16-19-12-13-24-22-10-4-7-18-6-3-9-21(25(18)22)23-11-5-8-20(19)26(23)24/h10-20,35H,21H2,1-9H3;2*3-13,28-29H,14-17H2,1-2H3