4-[[4-(3-chloranyl-1-sulfonyl-propyl)phenyl]carbonylamino]-5-oxidanyl-naphthalene-1,7-disulfonic acid

Systemtic Name: 4-[[4-(3-chloranyl-1-sulfonyl-propyl)phenyl]carbonylamino]-5-oxidanyl-naphthalene-1,7-disulfonic acid Openeye Name: 4-[[4-(3-chloro-1-sulfonyl-propyl)benzoyl]amino]-5-hydroxy-naphthalene-1,7-disulfonic acid CAS Name: 4-[[[4-(3-chloro-1-sulfonylpropyl)phenyl]-oxomethyl]amino]-5-hydroxynaphthalene-1,7-disulfonic acid IUPAC Name: 4-[[4-(3-chloro-1-sulfonylpropyl)benzoyl]amino]-5-hydroxynaphthalene-1,7-disulfonic acid Traditional Name: 4-[[4-(3-chloro-1-sulfonyl-propyl)benzoyl]amino]-5-hydroxy-naphthalene-1,7-disulfonic acid Formula: C20H16ClNO10S3 MolecularWeight: 561.98974

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=S(=O)=O)CCCl)C(=O)NC2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)O

Isomeric SMILES

C1=CC(=CC=C1C(=S(=O)=O)CCCl)C(=O)NC2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)O

InChI

InChI=1S/C20H16ClNO10S3/c21-8-7-17(33(25)26)11-1-3-12(4-2-11)20(24)22-15-5-6-18(35(30,31)32)14-9-13(34(27,28)29)10-16(23)19(14)15/h1-6,9-10,23H,7-8H2,(H,22,24)(H,27,28,29)(H,30,31,32)