[2-methyl-1,3-bis(oxidanyl)-2-(perylen-3-ylmethylamino)propyl] methanesulfonate

Systemtic Name: [2-methyl-1,3-bis(oxidanyl)-2-(perylen-3-ylmethylamino)propyl] methanesulfonate Openeye Name: [1,3-dihydroxy-2-methyl-2-(perylen-3-ylmethylamino)propyl] methanesulfonate CAS Name: methanesulfonic acid [1,3-dihydroxy-2-methyl-2-(3-perylenylmethylamino)propyl] ester IUPAC Name: [1,3-dihydroxy-2-methyl-2-(perylen-3-ylmethylamino)propyl] methanesulfonate Traditional Name: methanesulfonic acid [1,3-dihydroxy-2-methyl-2-(perylen-3-ylmethylamino)propyl] ester Formula: C26H25NO5S MolecularWeight: 463.5454

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)(C(O)OS(=O)(=O)C)NCC1=CC=C2C3=CC=CC4=C3C(=CC=C4)C5=C2C1=CC=C5

Isomeric SMILES

CC(CO)(C(O)OS(=O)(=O)C)NCC1=CC=C2C3=CC=CC4=C3C(=CC=C4)C5=C2C1=CC=C5

InChI

InChI=1S/C26H25NO5S/c1-26(15-28,25(29)32-33(2,30)31)27-14-17-12-13-22-20-10-4-7-16-6-3-9-19(23(16)20)21-11-5-8-18(17)24(21)22/h3-13,25,27-29H,14-15H2,1-2H3