6-[[3-(3-chloranyl-1-sulfonyl-propyl)phenyl]carbonylamino]-4-oxidanyl-naphthalene-2-sulfonic acid

Systemtic Name: 6-[[3-(3-chloranyl-1-sulfonyl-propyl)phenyl]carbonylamino]-4-oxidanyl-naphthalene-2-sulfonic acid Openeye Name: 6-[[3-(3-chloro-1-sulfonyl-propyl)benzoyl]amino]-4-hydroxy-naphthalene-2-sulfonic acid CAS Name: 6-[[[3-(3-chloro-1-sulfonylpropyl)phenyl]-oxomethyl]amino]-4-hydroxy-2-naphthalenesulfonic acid IUPAC Name: 6-[[3-(3-chloro-1-sulfonylpropyl)benzoyl]amino]-4-hydroxynaphthalene-2-sulfonic acid Traditional Name: 6-[[3-(3-chloro-1-sulfonyl-propyl)benzoyl]amino]-4-hydroxy-naphthalene-2-sulfonic acid Formula: C20H16ClNO7S2 MolecularWeight: 481.92654

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)NC2=CC3=C(C=C(C=C3C=C2)S(=O)(=O)O)O)C(=S(=O)=O)CCCl

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)NC2=CC3=C(C=C(C=C3C=C2)S(=O)(=O)O)O)C(=S(=O)=O)CCCl

InChI

InChI=1S/C20H16ClNO7S2/c21-7-6-19(30(25)26)13-2-1-3-14(8-13)20(24)22-15-5-4-12-9-16(31(27,28)29)11-18(23)17(12)10-15/h1-5,8-11,23H,6-7H2,(H,22,24)(H,27,28,29)