4-acetamido-5-methoxy-6-methyl-7-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid

Systemtic Name: 4-acetamido-5-methoxy-6-methyl-7-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid Openeye Name: 4-acetamido-5-methoxy-6-methyl-7-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid CAS Name: 4-acetamido-5-methoxy-6-methyl-7-(trioxidanylthio)-1-naphthalenesulfonic acid IUPAC Name: 4-acetamido-5-methoxy-6-methyl-7-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid Traditional Name: 4-acetamido-5-methoxy-6-methyl-7-(trioxidanylthio)naphthalene-1-sulfonic acid Formula: C14H15NO8S2 MolecularWeight: 389.4008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=CC(=C2C=C1SOOO)S(=O)(=O)O)NC(=O)C)OC

Isomeric SMILES

CC1=C(C2=C(C=CC(=C2C=C1SOOO)S(=O)(=O)O)NC(=O)C)OC

InChI

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