2-methyl-6-(2-sulfooxyethoxysulfinyl)naphthalene-1-sulfonic acid

Systemtic Name: 2-methyl-6-(2-sulfooxyethoxysulfinyl)naphthalene-1-sulfonic acid Openeye Name: 2-methyl-6-(2-sulfooxyethoxysulfinyl)naphthalene-1-sulfonic acid CAS Name: 2-methyl-6-(2-sulfooxyethoxysulfinyl)-1-naphthalenesulfonic acid IUPAC Name: 2-methyl-6-(2-sulfooxyethoxysulfinyl)naphthalene-1-sulfonic acid Traditional Name: 2-methyl-6-(2-sulfoxyethoxysulfinyl)naphthalene-1-sulfonic acid Formula: C13H14O9S3 MolecularWeight: 410.43986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C=C(C=C2)S(=O)OCCOS(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC1=C(C2=C(C=C1)C=C(C=C2)S(=O)OCCOS(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C13H14O9S3/c1-9-2-3-10-8-11(4-5-12(10)13(9)24(15,16)17)23(14)21-6-7-22-25(18,19)20/h2-5,8H,6-7H2,1H3,(H,15,16,17)(H,18,19,20)