[2-[(4-chloranylanthracen-9-yl)methylamino]-2-methyl-1,3-bis(oxidanyl)propyl] methanesulfonate

Systemtic Name: [2-[(4-chloranylanthracen-9-yl)methylamino]-2-methyl-1,3-bis(oxidanyl)propyl] methanesulfonate Openeye Name: [2-[(4-chloro-9-anthryl)methylamino]-1,3-dihydroxy-2-methyl-propyl] methanesulfonate CAS Name: methanesulfonic acid [2-[(4-chloro-9-anthracenyl)methylamino]-1,3-dihydroxy-2-methylpropyl] ester IUPAC Name: [2-[(4-chloroanthracen-9-yl)methylamino]-1,3-dihydroxy-2-methylpropyl] methanesulfonate Traditional Name: methanesulfonic acid [2-[(4-chloro-9-anthryl)methylamino]-1,3-dihydroxy-2-methyl-propyl] ester Formula: C20H22ClNO5S MolecularWeight: 423.91038

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)(C(O)OS(=O)(=O)C)NCC1=C2C=CC=C(C2=CC3=CC=CC=C31)Cl

Isomeric SMILES

CC(CO)(C(O)OS(=O)(=O)C)NCC1=C2C=CC=C(C2=CC3=CC=CC=C31)Cl

InChI

InChI=1S/C20H22ClNO5S/c1-20(12-23,19(24)27-28(2,25)26)22-11-17-14-7-4-3-6-13(14)10-16-15(17)8-5-9-18(16)21/h3-10,19,22-24H,11-12H2,1-2H3