[3,5-bis[[(4,6-dimethyl-2-oxidanylidene-chromen-7-yl)-ethyl-amino]methyl]phenyl] hexadecane-1-sulfonate

Systemtic Name: [3,5-bis[[(4,6-dimethyl-2-oxidanylidene-chromen-7-yl)-ethyl-amino]methyl]phenyl] hexadecane-1-sulfonate Openeye Name: [3,5-bis[[(4,6-dimethyl-2-oxo-chromen-7-yl)-ethyl-amino]methyl]phenyl] hexadecane-1-sulfonate CAS Name: 1-hexadecanesulfonic acid IUPAC Name: [3,5-bis[[(4,6-dimethyl-2-oxochromen-7-yl)-ethylamino]methyl]phenyl] hexadecane-1-sulfonate Traditional Name: hexadecane-1-sulfonic acid [3,5-bis[[ethyl-(2-keto-4,6-dimethyl-chromen-7-yl)amino]methyl]phenyl] ester Formula: C50H68N2O7S MolecularWeight: 841.14912

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCS(=O)(=O)OC1=CC(=CC(=C1)CN(CC)C2=C(C=C3C(=CC(=O)OC3=C2)C)C)CN(CC)C4=C(C=C5C(=CC(=O)OC5=C4)C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCS(=O)(=O)OC1=CC(=CC(=C1)CN(CC)C2=C(C=C3C(=CC(=O)OC3=C2)C)C)CN(CC)C4=C(C=C5C(=CC(=O)OC5=C4)C)C

InChI

InChI=1S/C50H68N2O7S/c1-8-11-12-13-14-15-16-17-18-19-20-21-22-23-24-60(55,56)59-42-30-40(34-51(9-2)45-32-47-43(25-38(45)6)36(4)27-49(53)57-47)29-41(31-42)35-52(10-3)46-33-48-44(26-39(46)7)37(5)28-50(54)58-48/h25-33H,8-24,34-35H2,1-7H3