3-[methyl-[2-(3-methylidenecyclohexa-1,4-dien-1-yl)phenyl]amino]propane-1,1-disulfonic acid

Systemtic Name: 3-[methyl-[2-(3-methylidenecyclohexa-1,4-dien-1-yl)phenyl]amino]propane-1,1-disulfonic acid Openeye Name: 3-[N-methyl-2-(3-methylenecyclohexa-1,4-dien-1-yl)anilino]propane-1,1-disulfonic acid CAS Name: 3-[N-methyl-2-(3-methylene-1-cyclohexa-1,4-dienyl)anilino]propane-1,1-disulfonic acid IUPAC Name: 3-[N-methyl-2-(3-methylidenecyclohexa-1,4-dien-1-yl)anilino]propane-1,1-disulfonic acid Traditional Name: 3-[N-methyl-2-(3-methylenecyclohexa-1,4-dien-1-yl)anilino]propane-1,1-disulfonic acid Formula: C17H21NO6S2 MolecularWeight: 399.48174

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC(S(=O)(=O)O)S(=O)(=O)O)C1=CC=CC=C1C2=CC(=C)C=CC2

Isomeric SMILES

CN(CCC(S(=O)(=O)O)S(=O)(=O)O)C1=CC=CC=C1C2=CC(=C)C=CC2

InChI

InChI=1S/C17H21NO6S2/c1-13-6-5-7-14(12-13)15-8-3-4-9-16(15)18(2)11-10-17(25(19,20)21)26(22,23)24/h3-6,8-9,12,17H,1,7,10-11H2,2H3,(H,19,20,21)(H,22,23,24)