[6,7-bis(aziridin-1-yl)-5,8-bis(oxidanylidene)naphthalen-1-yl] hexadecane-1-sulfonate

Systemtic Name: [6,7-bis(aziridin-1-yl)-5,8-bis(oxidanylidene)naphthalen-1-yl] hexadecane-1-sulfonate Openeye Name: [6,7-bis(aziridin-1-yl)-5,8-dioxo-1-naphthyl] hexadecane-1-sulfonate CAS Name: 1-hexadecanesulfonic acid IUPAC Name: [6,7-bis(aziridin-1-yl)-5,8-dioxonaphthalen-1-yl] hexadecane-1-sulfonate Traditional Name: hexadecane-1-sulfonic acid (6,7-diethylenimino-5,8-diketo-1-naphthyl) ester Formula: C30H44N2O5S MolecularWeight: 544.74576

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCS(=O)(=O)OC1=CC=CC2=C1C(=O)C(=C(C2=O)N3CC3)N4CC4

Isomeric SMILES

CCCCCCCCCCCCCCCCS(=O)(=O)OC1=CC=CC2=C1C(=O)C(=C(C2=O)N3CC3)N4CC4

InChI

InChI=1S/C30H44N2O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-23-38(35,36)37-25-18-16-17-24-26(25)30(34)28(32-21-22-32)27(29(24)33)31-19-20-31/h16-18H,2-15,19-23H2,1H3