3-[5-(2-carboxyethylsulfonyl)naphthalen-1-yl]sulfonylpropanoic acid

Systemtic Name: 3-[5-(2-carboxyethylsulfonyl)naphthalen-1-yl]sulfonylpropanoic acid Openeye Name: 3-[[5-(2-carboxyethylsulfonyl)-1-naphthyl]sulfonyl]propanoic acid CAS Name: 3-[[5-(2-carboxyethylsulfonyl)-1-naphthalenyl]sulfonyl]propanoic acid IUPAC Name: 3-[5-(2-carboxyethylsulfonyl)naphthalen-1-yl]sulfonylpropanoic acid Traditional Name: 3-[[5-(2-carboxyethylsulfonyl)-1-naphthyl]sulfonyl]propionic acid Formula: C16H16O8S2 MolecularWeight: 400.42344

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC=C2S(=O)(=O)CCC(=O)O)C(=C1)S(=O)(=O)CCC(=O)O

Isomeric SMILES

C1=CC2=C(C=CC=C2S(=O)(=O)CCC(=O)O)C(=C1)S(=O)(=O)CCC(=O)O

InChI

InChI=1S/C16H16O8S2/c17-15(18)7-9-25(21,22)13-5-1-3-11-12(13)4-2-6-14(11)26(23,24)10-8-16(19)20/h1-6H,7-10H2,(H,17,18)(H,19,20)