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

Systemtic Name: [2-(chrysen-6-ylmethylamino)-1,3-bis(oxidanyl)propyl] methanesulfonate Openeye Name: [2-(chrysen-6-ylmethylamino)-1,3-dihydroxy-propyl] methanesulfonate CAS Name: methanesulfonic acid [2-(6-chrysenylmethylamino)-1,3-dihydroxypropyl] ester IUPAC Name: [2-(chrysen-6-ylmethylamino)-1,3-dihydroxypropyl] methanesulfonate Traditional Name: methanesulfonic acid [2-(chrysen-6-ylmethylamino)-1,3-dihydroxy-propyl] ester Formula: C23H23NO5S MolecularWeight: 425.49742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23NO5S/c1-30(27,28)29-23(26)22(14-25)24-13-16-12-21-17-7-3-2-6-15(17)10-11-20(21)19-9-5-4-8-18(16)19/h2-12,22-26H,13-14H2,1H3