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

Systemtic Name: 2-azanyl-4-[[4-(3-chloranyl-1-sulfonyl-propyl)phenyl]carbonylamino]benzenesulfonic acid; 4-oxidanylnaphthalene-1-sulfonic acid Openeye Name: 2-amino-4-[[4-(3-chloro-1-sulfonyl-propyl)benzoyl]amino]benzenesulfonic acid; 4-hydroxynaphthalene-1-sulfonic acid CAS Name: 2-amino-4-[[[4-(3-chloro-1-sulfonylpropyl)phenyl]-oxomethyl]amino]benzenesulfonic acid; 4-hydroxy-1-naphthalenesulfonic acid IUPAC Name: 2-amino-4-[[4-(3-chloro-1-sulfonylpropyl)benzoyl]amino]benzenesulfonic acid; 4-hydroxynaphthalene-1-sulfonic acid Traditional Name: 2-amino-4-[[4-(3-chloro-1-sulfonyl-propyl)benzoyl]amino]besylic acid; 4-hydroxynaphthalene-1-sulfonic acid Formula: C26H23ClN2O10S3 MolecularWeight: 655.11622

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)O)O.C1=CC(=CC=C1C(=S(=O)=O)CCCl)C(=O)NC2=CC(=C(C=C2)S(=O)(=O)O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)O)O.C1=CC(=CC=C1C(=S(=O)=O)CCCl)C(=O)NC2=CC(=C(C=C2)S(=O)(=O)O)N

InChI

InChI=1S/C16H15ClN2O6S2.C10H8O4S/c17-8-7-14(26(21)22)10-1-3-11(4-2-10)16(20)19-12-5-6-15(13(18)9-12)27(23,24)25;11-9-5-6-10(15(12,13)14)8-4-2-1-3-7(8)9/h1-6,9H,7-8,18H2,(H,19,20)(H,23,24,25);1-6,11H,(H,12,13,14)