2-methyl-5-(2-sulfooxyethylsulfonyl)naphthalene-1-sulfonic acid

Systemtic Name: 2-methyl-5-(2-sulfooxyethylsulfonyl)naphthalene-1-sulfonic acid Openeye Name: 2-methyl-5-(2-sulfooxyethylsulfonyl)naphthalene-1-sulfonic acid CAS Name: 2-methyl-5-(2-sulfooxyethylsulfonyl)-1-naphthalenesulfonic acid IUPAC Name: 2-methyl-5-(2-sulfooxyethylsulfonyl)naphthalene-1-sulfonic acid Traditional Name: 2-methyl-5-(2-sulfoxyethylsulfonyl)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(=CC=C2)S(=O)(=O)CCOS(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC=C2)S(=O)(=O)CCOS(=O)(=O)O)S(=O)(=O)O

InChI

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