[2-(chrysen-6-ylmethylamino)-2-methyl-1,3-bis(oxidanyl)propyl] methanesulfonate

Systemtic Name: [2-(chrysen-6-ylmethylamino)-2-methyl-1,3-bis(oxidanyl)propyl] methanesulfonate Openeye Name: [2-(chrysen-6-ylmethylamino)-1,3-dihydroxy-2-methyl-propyl] methanesulfonate CAS Name: methanesulfonic acid [2-(6-chrysenylmethylamino)-1,3-dihydroxy-2-methylpropyl] ester IUPAC Name: [2-(chrysen-6-ylmethylamino)-1,3-dihydroxy-2-methylpropyl] methanesulfonate Traditional Name: methanesulfonic acid [2-(chrysen-6-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=CC2=C(C=CC3=CC=CC=C32)C4=CC=CC=C41

Isomeric SMILES

CC(CO)(C(O)OS(=O)(=O)C)NCC1=CC2=C(C=CC3=CC=CC=C32)C4=CC=CC=C41

InChI

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