4-[[3-methyl-7-(methylamino)-4-oxidanyl-naphthalen-2-yl]sulfanylperoxyamino]benzoic acid

Systemtic Name: 4-[[3-methyl-7-(methylamino)-4-oxidanyl-naphthalen-2-yl]sulfanylperoxyamino]benzoic acid Openeye Name: 4-[[4-hydroxy-3-methyl-7-(methylamino)-2-naphthyl]sulfanylperoxyamino]benzoic acid CAS Name: 4-[[[4-hydroxy-3-methyl-7-(methylamino)-2-naphthalenyl]thio]dioxyamino]benzoic acid IUPAC Name: 4-[[4-hydroxy-3-methyl-7-(methylamino)naphthalen-2-yl]sulfanylperoxyamino]benzoic acid Traditional Name: 4-[[[4-hydroxy-3-methyl-7-(methylamino)-2-naphthyl]thio]peroxyamino]benzoic acid Formula: C19H18N2O5S MolecularWeight: 386.42162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C=C(C=CC2=C1O)NC)SOONC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=C(C=C2C=C(C=CC2=C1O)NC)SOONC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C19H18N2O5S/c1-11-17(10-13-9-15(20-2)7-8-16(13)18(11)22)27-26-25-21-14-5-3-12(4-6-14)19(23)24/h3-10,20-22H,1-2H3,(H,23,24)