5,6,7-trimethylnaphthalene-1-sulfonic acid

Systemtic Name: 5,6,7-trimethylnaphthalene-1-sulfonic acid Openeye Name: 5,6,7-trimethylnaphthalene-1-sulfonic acid CAS Name: 5,6,7-trimethyl-1-naphthalenesulfonic acid IUPAC Name: 5,6,7-trimethylnaphthalene-1-sulfonic acid Traditional Name: 5,6,7-trimethylnaphthalene-1-sulfonic acid Formula: C13H14O3S MolecularWeight: 250.31346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2C=CC=C(C2=C1)S(=O)(=O)O)C)C

Isomeric SMILES

CC1=C(C(=C2C=CC=C(C2=C1)S(=O)(=O)O)C)C

InChI

InChI=1S/C13H14O3S/c1-8-7-12-11(10(3)9(8)2)5-4-6-13(12)17(14,15)16/h4-7H,1-3H3,(H,14,15,16)