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

Systemtic Name: [2-[(4-ethylfluoranthen-3-yl)methylamino]-2-methyl-1,3-bis(oxidanyl)propyl] methanesulfonate Openeye Name: [2-[(4-ethylfluoranthen-3-yl)methylamino]-1,3-dihydroxy-2-methyl-propyl] methanesulfonate CAS Name: methanesulfonic acid [2-[(4-ethyl-3-fluoranthenyl)methylamino]-1,3-dihydroxy-2-methylpropyl] ester IUPAC Name: [2-[(4-ethylfluoranthen-3-yl)methylamino]-1,3-dihydroxy-2-methylpropyl] methanesulfonate Traditional Name: methanesulfonic acid [2-[(4-ethylfluoranthen-3-yl)methylamino]-1,3-dihydroxy-2-methyl-propyl] ester Formula: C24H27NO5S MolecularWeight: 441.53988

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC=C3C2=C(C=C1)C4=CC=CC=C43)CNC(C)(CO)C(O)OS(=O)(=O)C

Isomeric SMILES

CCC1=C2C(=CC=C3C2=C(C=C1)C4=CC=CC=C43)CNC(C)(CO)C(O)OS(=O)(=O)C

InChI

InChI=1S/C24H27NO5S/c1-4-15-9-11-19-17-7-5-6-8-18(17)20-12-10-16(21(15)22(19)20)13-25-24(2,14-26)23(27)30-31(3,28)29/h5-12,23,25-27H,4,13-14H2,1-3H3