(1S,6R)-6-[(5-oxidanyl-7-sulfo-naphthalen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: (1S,6R)-6-[(5-oxidanyl-7-sulfo-naphthalen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: (1S,6R)-6-[(5-hydroxy-7-sulfo-2-naphthyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: (1S,6R)-6-[[(5-hydroxy-7-sulfo-2-naphthalenyl)amino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1S,6R)-6-[(5-hydroxy-7-sulfonaphthalen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: (1S,6R)-6-[(5-hydroxy-7-sulfo-2-naphthyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C18H17NO7S MolecularWeight: 391.39508

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C1C(=O)NC2=CC3=CC(=CC(=C3C=C2)O)S(=O)(=O)O)C(=O)O

Isomeric SMILES

C1C=CC[C@@H]([C@@H]1C(=O)NC2=CC3=CC(=CC(=C3C=C2)O)S(=O)(=O)O)C(=O)O

InChI

InChI=1S/C18H17NO7S/c20-16-9-12(27(24,25)26)8-10-7-11(5-6-13(10)16)19-17(21)14-3-1-2-4-15(14)18(22)23/h1-2,5-9,14-15,20H,3-4H2,(H,19,21)(H,22,23)(H,24,25,26)/t14-,15+/m1/s1