[2-(anthracen-9-ylmethylamino)-2-methyl-1,4-bis(oxidanyl)butyl] methanesulfonate

Systemtic Name: [2-(anthracen-9-ylmethylamino)-2-methyl-1,4-bis(oxidanyl)butyl] methanesulfonate Openeye Name: [2-(9-anthrylmethylamino)-1,4-dihydroxy-2-methyl-butyl] methanesulfonate CAS Name: methanesulfonic acid [2-(9-anthracenylmethylamino)-1,4-dihydroxy-2-methylbutyl] ester IUPAC Name: [2-(anthracen-9-ylmethylamino)-1,4-dihydroxy-2-methylbutyl] methanesulfonate Traditional Name: methanesulfonic acid [2-(9-anthrylmethylamino)-1,4-dihydroxy-2-methyl-butyl] ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCO)(C(O)OS(=O)(=O)C)NCC1=C2C=CC=CC2=CC3=CC=CC=C31

Isomeric SMILES

CC(CCO)(C(O)OS(=O)(=O)C)NCC1=C2C=CC=CC2=CC3=CC=CC=C31

InChI

InChI=1S/C21H25NO5S/c1-21(11-12-23,20(24)27-28(2,25)26)22-14-19-17-9-5-3-7-15(17)13-16-8-4-6-10-18(16)19/h3-10,13,20,22-24H,11-12,14H2,1-2H3