4-(3-chloranylpropanoylamino)-5-oxidanyl-naphthalene-1,7-disulfonic acid

Systemtic Name: 4-(3-chloranylpropanoylamino)-5-oxidanyl-naphthalene-1,7-disulfonic acid Openeye Name: 4-(3-chloropropanoylamino)-5-hydroxy-naphthalene-1,7-disulfonic acid CAS Name: 4-[(3-chloro-1-oxopropyl)amino]-5-hydroxynaphthalene-1,7-disulfonic acid IUPAC Name: 4-(3-chloropropanoylamino)-5-hydroxynaphthalene-1,7-disulfonic acid Traditional Name: 4-(3-chloropropanoylamino)-5-hydroxy-naphthalene-1,7-disulfonic acid Formula: C13H12ClNO8S2 MolecularWeight: 409.81928

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C=C(C=C(C2=C1NC(=O)CCCl)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=C2C=C(C=C(C2=C1NC(=O)CCCl)O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C13H12ClNO8S2/c14-4-3-12(17)15-9-1-2-11(25(21,22)23)8-5-7(24(18,19)20)6-10(16)13(8)9/h1-2,5-6,16H,3-4H2,(H,15,17)(H,18,19,20)(H,21,22,23)