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

Systemtic Name: 4-(butanoylamino)-5-oxidanyl-naphthalene-1,7-disulfonic acid Openeye Name: 4-(butanoylamino)-5-hydroxy-naphthalene-1,7-disulfonic acid CAS Name: 5-hydroxy-4-(1-oxobutylamino)naphthalene-1,7-disulfonic acid IUPAC Name: 4-(butanoylamino)-5-hydroxynaphthalene-1,7-disulfonic acid Traditional Name: 4-butyramido-5-hydroxy-naphthalene-1,7-disulfonic acid Formula: C14H15NO8S2 MolecularWeight: 389.4008

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=C2C(=CC(=CC2=C(C=C1)S(=O)(=O)O)S(=O)(=O)O)O

Isomeric SMILES

CCCC(=O)NC1=C2C(=CC(=CC2=C(C=C1)S(=O)(=O)O)S(=O)(=O)O)O

InChI

InChI=1S/C14H15NO8S2/c1-2-3-13(17)15-10-4-5-12(25(21,22)23)9-6-8(24(18,19)20)7-11(16)14(9)10/h4-7,16H,2-3H2,1H3,(H,15,17)(H,18,19,20)(H,21,22,23)