4-(3-chloranyl-4-sulfo-phenoxy)-2-methyl-benzenesulfonic acid

Systemtic Name: 4-(3-chloranyl-4-sulfo-phenoxy)-2-methyl-benzenesulfonic acid Openeye Name: 4-(3-chloro-4-sulfo-phenoxy)-2-methyl-benzenesulfonic acid CAS Name: 4-(3-chloro-4-sulfophenoxy)-2-methylbenzenesulfonic acid IUPAC Name: 4-(3-chloro-4-sulfophenoxy)-2-methylbenzenesulfonic acid Traditional Name: 4-(3-chloro-4-sulfo-phenoxy)-2-methyl-besylic acid Formula: C13H11ClO7S2 MolecularWeight: 378.80524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2=CC(=C(C=C2)S(=O)(=O)O)Cl)S(=O)(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=CC(=C(C=C2)S(=O)(=O)O)Cl)S(=O)(=O)O

InChI

InChI=1S/C13H11ClO7S2/c1-8-6-9(2-4-12(8)22(15,16)17)21-10-3-5-13(11(14)7-10)23(18,19)20/h2-7H,1H3,(H,15,16,17)(H,18,19,20)