2-butyl-1,3-bis(oxidanylidene)benzo[de]isoquinoline-6-sulfonic acid

Systemtic Name: 2-butyl-1,3-bis(oxidanylidene)benzo[de]isoquinoline-6-sulfonic acid Openeye Name: 2-butyl-1,3-dioxo-benzo[de]isoquinoline-6-sulfonic acid CAS Name: 2-butyl-1,3-dioxo-6-benzo[de]isoquinolinesulfonic acid IUPAC Name: 2-butyl-1,3-dioxobenzo[de]isoquinoline-6-sulfonic acid Traditional Name: 2-butyl-1,3-diketo-benzo[de]isoquinoline-6-sulfonic acid Formula: C16H15NO5S MolecularWeight: 333.359

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C3C(=C(C=C2)S(=O)(=O)O)C=CC=C3C1=O

Isomeric SMILES

CCCCN1C(=O)C2=C3C(=C(C=C2)S(=O)(=O)O)C=CC=C3C1=O

InChI

InChI=1S/C16H15NO5S/c1-2-3-9-17-15(18)11-6-4-5-10-13(23(20,21)22)8-7-12(14(10)11)16(17)19/h4-8H,2-3,9H2,1H3,(H,20,21,22)