6-methyl-4-(2-sulfooxyethoxysulfinyl)naphthalene-2-sulfonic acid

Systemtic Name: 6-methyl-4-(2-sulfooxyethoxysulfinyl)naphthalene-2-sulfonic acid Openeye Name: 6-methyl-4-(2-sulfooxyethoxysulfinyl)naphthalene-2-sulfonic acid CAS Name: 6-methyl-4-(2-sulfooxyethoxysulfinyl)-2-naphthalenesulfonic acid IUPAC Name: 6-methyl-4-(2-sulfooxyethoxysulfinyl)naphthalene-2-sulfonic acid Traditional Name: 6-methyl-4-(2-sulfoxyethoxysulfinyl)naphthalene-2-sulfonic acid Formula: C13H14O9S3 MolecularWeight: 410.43986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C(C=C2C=C1)S(=O)(=O)O)S(=O)OCCOS(=O)(=O)O

Isomeric SMILES

CC1=CC2=C(C=C(C=C2C=C1)S(=O)(=O)O)S(=O)OCCOS(=O)(=O)O

InChI

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