4-[2-methyl-1-[2-methyl-1-(4-sulfophenyl)prop-2-enoxy]prop-2-enyl]benzenesulfonic acid

Systemtic Name: 4-[2-methyl-1-[2-methyl-1-(4-sulfophenyl)prop-2-enoxy]prop-2-enyl]benzenesulfonic acid Openeye Name: 4-[2-methyl-1-[2-methyl-1-(4-sulfophenyl)allyloxy]allyl]benzenesulfonic acid CAS Name: 4-[2-methyl-1-[2-methyl-1-(4-sulfophenyl)prop-2-enoxy]prop-2-enyl]benzenesulfonic acid IUPAC Name: 4-[2-methyl-1-[2-methyl-1-(4-sulfophenyl)prop-2-enoxy]prop-2-enyl]benzenesulfonic acid Traditional Name: 4-[2-methyl-1-[2-methyl-1-(4-sulfophenyl)allyloxy]allyl]besylic acid Formula: C20H22O7S2 MolecularWeight: 438.51448

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(C1=CC=C(C=C1)S(=O)(=O)O)OC(C2=CC=C(C=C2)S(=O)(=O)O)C(=C)C

Isomeric SMILES

CC(=C)C(C1=CC=C(C=C1)S(=O)(=O)O)OC(C2=CC=C(C=C2)S(=O)(=O)O)C(=C)C

InChI

InChI=1S/C20H22O7S2/c1-13(2)19(15-5-9-17(10-6-15)28(21,22)23)27-20(14(3)4)16-7-11-18(12-8-16)29(24,25)26/h5-12,19-20H,1,3H2,2,4H3,(H,21,22,23)(H,24,25,26)