[2-[(12-chloranyltetracen-5-yl)methylamino]-2-methyl-1,3-bis(oxidanyl)propyl] methanesulfonate

Systemtic Name: [2-[(12-chloranyltetracen-5-yl)methylamino]-2-methyl-1,3-bis(oxidanyl)propyl] methanesulfonate Openeye Name: [2-[(12-chlorotetracen-5-yl)methylamino]-1,3-dihydroxy-2-methyl-propyl] methanesulfonate CAS Name: methanesulfonic acid [2-[(12-chloro-5-tetracenyl)methylamino]-1,3-dihydroxy-2-methylpropyl] ester IUPAC Name: [2-[(12-chlorotetracen-5-yl)methylamino]-1,3-dihydroxy-2-methylpropyl] methanesulfonate Traditional Name: methanesulfonic acid [2-[(12-chlorotetracen-5-yl)methylamino]-1,3-dihydroxy-2-methyl-propyl] ester Formula: C24H24ClNO5S MolecularWeight: 473.96906

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)(C(O)OS(=O)(=O)C)NCC1=C2C=CC=CC2=C(C3=CC4=CC=CC=C4C=C31)Cl

Isomeric SMILES

CC(CO)(C(O)OS(=O)(=O)C)NCC1=C2C=CC=CC2=C(C3=CC4=CC=CC=C4C=C31)Cl

InChI

InChI=1S/C24H24ClNO5S/c1-24(14-27,23(28)31-32(2,29)30)26-13-21-17-9-5-6-10-18(17)22(25)20-12-16-8-4-3-7-15(16)11-19(20)21/h3-12,23,26-28H,13-14H2,1-2H3