6-azanyl-1,3-bis(oxidanylidene)-2-propyl-benzo[de]isoquinoline-5-sulfonic acid

Systemtic Name: 6-azanyl-1,3-bis(oxidanylidene)-2-propyl-benzo[de]isoquinoline-5-sulfonic acid Openeye Name: 6-amino-1,3-dioxo-2-propyl-benzo[de]isoquinoline-5-sulfonic acid CAS Name: 6-amino-1,3-dioxo-2-propyl-5-benzo[de]isoquinolinesulfonic acid IUPAC Name: 6-amino-1,3-dioxo-2-propylbenzo[de]isoquinoline-5-sulfonic acid Traditional Name: 6-amino-1,3-diketo-2-propyl-benzo[de]isoquinoline-5-sulfonic acid Formula: C15H14N2O5S MolecularWeight: 334.34706

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC3=C2C(=CC(=C3N)S(=O)(=O)O)C1=O

Isomeric SMILES

CCCN1C(=O)C2=CC=CC3=C2C(=CC(=C3N)S(=O)(=O)O)C1=O

InChI

InChI=1S/C15H14N2O5S/c1-2-6-17-14(18)9-5-3-4-8-12(9)10(15(17)19)7-11(13(8)16)23(20,21)22/h3-5,7H,2,6,16H2,1H3,(H,20,21,22)