3,5-dimethyl-4-(4-sulfophenoxy)benzenesulfonic acid

Systemtic Name: 3,5-dimethyl-4-(4-sulfophenoxy)benzenesulfonic acid Openeye Name: 3,5-dimethyl-4-(4-sulfophenoxy)benzenesulfonic acid CAS Name: 3,5-dimethyl-4-(4-sulfophenoxy)benzenesulfonic acid IUPAC Name: 3,5-dimethyl-4-(4-sulfophenoxy)benzenesulfonic acid Traditional Name: 3,5-dimethyl-4-(4-sulfophenoxy)besylic acid Formula: C14H14O7S2 MolecularWeight: 358.38676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2=CC=C(C=C2)S(=O)(=O)O)C)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1OC2=CC=C(C=C2)S(=O)(=O)O)C)S(=O)(=O)O

InChI

InChI=1S/C14H14O7S2/c1-9-7-13(23(18,19)20)8-10(2)14(9)21-11-3-5-12(6-4-11)22(15,16)17/h3-8H,1-2H3,(H,15,16,17)(H,18,19,20)