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

Systemtic Name: 6-methyl-4-(2-sulfooxyethylsulfonyl)naphthalene-2-sulfonic acid Openeye Name: 6-methyl-4-(2-sulfooxyethylsulfonyl)naphthalene-2-sulfonic acid CAS Name: 6-methyl-4-(2-sulfooxyethylsulfonyl)-2-naphthalenesulfonic acid IUPAC Name: 6-methyl-4-(2-sulfooxyethylsulfonyl)naphthalene-2-sulfonic acid Traditional Name: 6-methyl-4-(2-sulfoxyethylsulfonyl)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)(=O)CCOS(=O)(=O)O

Isomeric SMILES

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

InChI

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