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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=C(C=C2C=C(C=C(C2=C1)O)SOOO)S(=O)(=O)O

Isomeric SMILES

CC(C)CNC1=C(C=C2C=C(C=C(C2=C1)O)SOOO)S(=O)(=O)O

InChI

InChI=1S/C14H17NO7S2/c1-8(2)7-15-12-6-11-9(4-14(12)24(18,19)20)3-10(5-13(11)16)23-22-21-17/h3-6,8,15-17H,7H2,1-2H3,(H,18,19,20)