[2-[(12-ethoxychrysen-6-yl)methylamino]-2-methyl-1,3-bis(oxidanyl)propyl] methanesulfonate

Systemtic Name: [2-[(12-ethoxychrysen-6-yl)methylamino]-2-methyl-1,3-bis(oxidanyl)propyl] methanesulfonate Openeye Name: [2-[(12-ethoxychrysen-6-yl)methylamino]-1,3-dihydroxy-2-methyl-propyl] methanesulfonate CAS Name: methanesulfonic acid [2-[(12-ethoxy-6-chrysenyl)methylamino]-1,3-dihydroxy-2-methylpropyl] ester IUPAC Name: [2-[(12-ethoxychrysen-6-yl)methylamino]-1,3-dihydroxy-2-methylpropyl] methanesulfonate Traditional Name: methanesulfonic acid [2-[(12-ethoxychrysen-6-yl)methylamino]-1,3-dihydroxy-2-methyl-propyl] ester Formula: C26H29NO6S MolecularWeight: 483.57656

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C(C3=CC=CC=C32)CNC(C)(CO)C(O)OS(=O)(=O)C)C4=CC=CC=C41

Isomeric SMILES

CCOC1=CC2=C(C=C(C3=CC=CC=C32)CNC(C)(CO)C(O)OS(=O)(=O)C)C4=CC=CC=C41

InChI

InChI=1S/C26H29NO6S/c1-4-32-24-14-23-19-10-6-5-9-18(19)17(13-22(23)20-11-7-8-12-21(20)24)15-27-26(2,16-28)25(29)33-34(3,30)31/h5-14,25,27-29H,4,15-16H2,1-3H3