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

Systemtic Name: [2-[(3-ethoxyfluoranthen-2-yl)methylamino]-2-methyl-1,3-bis(oxidanyl)propyl] methanesulfonate Openeye Name: [2-[(3-ethoxyfluoranthen-2-yl)methylamino]-1,3-dihydroxy-2-methyl-propyl] methanesulfonate CAS Name: methanesulfonic acid [2-[(3-ethoxy-2-fluoranthenyl)methylamino]-1,3-dihydroxy-2-methylpropyl] ester IUPAC Name: [2-[(3-ethoxyfluoranthen-2-yl)methylamino]-1,3-dihydroxy-2-methylpropyl] methanesulfonate Traditional Name: methanesulfonic acid [2-[(3-ethoxyfluoranthen-2-yl)methylamino]-1,3-dihydroxy-2-methyl-propyl] ester Formula: C24H27NO6S MolecularWeight: 457.53928

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C3=CC=CC=C3C4=CC=CC1=C42)CNC(C)(CO)C(O)OS(=O)(=O)C

Isomeric SMILES

CCOC1=C(C=C2C3=CC=CC=C3C4=CC=CC1=C42)CNC(C)(CO)C(O)OS(=O)(=O)C

InChI

InChI=1S/C24H27NO6S/c1-4-30-22-15(13-25-24(2,14-26)23(27)31-32(3,28)29)12-20-17-9-6-5-8-16(17)18-10-7-11-19(22)21(18)20/h5-12,23,25-27H,4,13-14H2,1-3H3