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

Systemtic Name: 4-azanyl-3-oxidanyl-benzenesulfonic acid; 6-[[3-(3-chloranyl-1-sulfonyl-propyl)phenyl]carbonylamino]-4-oxidanyl-naphthalene-2-sulfonic acid Openeye Name: 4-amino-3-hydroxy-benzenesulfonic acid; 6-[[3-(3-chloro-1-sulfonyl-propyl)benzoyl]amino]-4-hydroxy-naphthalene-2-sulfonic acid CAS Name: 4-amino-3-hydroxybenzenesulfonic acid; 6-[[[3-(3-chloro-1-sulfonylpropyl)phenyl]-oxomethyl]amino]-4-hydroxy-2-naphthalenesulfonic acid IUPAC Name: 4-amino-3-hydroxybenzenesulfonic acid; 6-[[3-(3-chloro-1-sulfonylpropyl)benzoyl]amino]-4-hydroxynaphthalene-2-sulfonic acid Traditional Name: 4-amino-3-hydroxy-besylic acid; 6-[[3-(3-chloro-1-sulfonyl-propyl)benzoyl]amino]-4-hydroxy-naphthalene-2-sulfonic acid Formula: C26H23ClN2O11S3 MolecularWeight: 671.11562

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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.C1=CC(=C(C=C1S(=O)(=O)O)O)N

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.C1=CC(=C(C=C1S(=O)(=O)O)O)N

InChI

InChI=1S/C20H16ClNO7S2.C6H7NO4S/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;7-5-2-1-4(3-6(5)8)12(9,10)11/h1-5,8-11,23H,6-7H2,(H,22,24)(H,27,28,29);1-3,8H,7H2,(H,9,10,11)