[2-(chrysen-4-ylmethylamino)-2-methyl-1,3-bis(oxidanyl)propyl] methanesulfonate

Systemtic Name: [2-(chrysen-4-ylmethylamino)-2-methyl-1,3-bis(oxidanyl)propyl] methanesulfonate Openeye Name: [2-(chrysen-4-ylmethylamino)-1,3-dihydroxy-2-methyl-propyl] methanesulfonate CAS Name: methanesulfonic acid [2-(4-chrysenylmethylamino)-1,3-dihydroxy-2-methylpropyl] ester IUPAC Name: [2-(chrysen-4-ylmethylamino)-1,3-dihydroxy-2-methylpropyl] methanesulfonate Traditional Name: methanesulfonic acid [2-(chrysen-4-ylmethylamino)-1,3-dihydroxy-2-methyl-propyl] ester Formula: C24H25NO5S MolecularWeight: 439.524

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)(C(O)OS(=O)(=O)C)NCC1=CC=CC2=C1C3=C(C=C2)C4=CC=CC=C4C=C3

Isomeric SMILES

CC(CO)(C(O)OS(=O)(=O)C)NCC1=CC=CC2=C1C3=C(C=C2)C4=CC=CC=C4C=C3

InChI

InChI=1S/C24H25NO5S/c1-24(15-26,23(27)30-31(2,28)29)25-14-18-8-5-7-17-11-12-20-19-9-4-3-6-16(19)10-13-21(20)22(17)18/h3-13,23,25-27H,14-15H2,1-2H3