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4-[1,3-bis(oxidanylidene)-6-sulfo-benzo[de]isoquinolin-2-yl]butanoic acid

4-[1,3-bis(oxidanylidene)-6-sulfo-benzo[de]isoquinolin-2-yl]butanoic acid

Systemtic Name:4-[1,3-bis(oxidanylidene)-6-sulfo-benzo[de]isoquinolin-2-yl]butanoic acid
Openeye Name:4-(1,3-dioxo-6-sulfo-benzo[de]isoquinolin-2-yl)butanoic acid
CAS Name:4-(1,3-dioxo-6-sulfo-2-benzo[de]isoquinolinyl)butanoic acid
IUPAC Name:4-(1,3-dioxo-6-sulfobenzo[de]isoquinolin-2-yl)butanoic acid
Traditional Name:4-(1,3-diketo-6-sulfo-benzo[de]isoquinolin-2-yl)butyric acid
Formula: C16H13NO7S
MolecularWeight: 363.34192
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC3=C2C(=C1)C(=O)N(C3=O)CCCC(=O)O)S(=O)(=O)O


Isomeric SMILES

C1=CC2=C(C=CC3=C2C(=C1)C(=O)N(C3=O)CCCC(=O)O)S(=O)(=O)O


InChI

InChI=1S/C16H13NO7S/c18-13(19)5-2-8-17-15(20)10-4-1-3-9-12(25(22,23)24)7-6-11(14(9)10)16(17)21/h1,3-4,6-7H,2,5,8H2,(H,18,19)(H,22,23,24)


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