3-(butylamino)-5-oxidanyl-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid

Systemtic Name: 3-(butylamino)-5-oxidanyl-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid Openeye Name: 3-(butylamino)-5-hydroxy-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid CAS Name: 3-(butylamino)-5-hydroxy-7-(trioxidanylthio)-2-naphthalenesulfonic acid IUPAC Name: 3-(butylamino)-5-hydroxy-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid Traditional Name: 3-(butylamino)-5-hydroxy-7-(trioxidanylthio)naphthalene-2-sulfonic acid Formula: C14H17NO7S2 MolecularWeight: 375.41728

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C=C2C=C(C=C(C2=C1)O)SOOO)S(=O)(=O)O

Isomeric SMILES

CCCCNC1=C(C=C2C=C(C=C(C2=C1)O)SOOO)S(=O)(=O)O

InChI

InChI=1S/C14H17NO7S2/c1-2-3-4-15-12-8-11-9(6-14(12)24(18,19)20)5-10(7-13(11)16)23-22-21-17/h5-8,15-17H,2-4H2,1H3,(H,18,19,20)