[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl] 4-dodecylbenzenesulfonate

Systemtic Name: [1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl] 4-dodecylbenzenesulfonate Openeye Name: (1,3-dioxobenzo[de]isoquinolin-2-yl) 4-dodecylbenzenesulfonate CAS Name: 4-dodecylbenzenesulfonic acid (1,3-dioxo-2-benzo[de]isoquinolinyl) ester IUPAC Name: (1,3-dioxobenzo[de]isoquinolin-2-yl) 4-dodecylbenzenesulfonate Traditional Name: 4-laurylbenzenesulfonic acid (1,3-diketobenzo[de]isoquinolin-2-yl) ester Formula: C30H35NO5S MolecularWeight: 521.6676

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)ON2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)ON2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O

InChI

InChI=1S/C30H35NO5S/c1-2-3-4-5-6-7-8-9-10-11-14-23-19-21-25(22-20-23)37(34,35)36-31-29(32)26-17-12-15-24-16-13-18-27(28(24)26)30(31)33/h12-13,15-22H,2-11,14H2,1H3