2-methyl-5-[(4-methyl-2-sulfo-phenyl)-(4-methyl-3-sulfo-phenyl)phosphanyl]benzene-1,3-disulfonic acid

Systemtic Name: 2-methyl-5-[(4-methyl-2-sulfo-phenyl)-(4-methyl-3-sulfo-phenyl)phosphanyl]benzene-1,3-disulfonic acid Openeye Name: 2-methyl-5-[(4-methyl-2-sulfo-phenyl)-(4-methyl-3-sulfo-phenyl)phosphanyl]benzene-1,3-disulfonic acid CAS Name: 2-methyl-5-[(4-methyl-2-sulfophenyl)-(4-methyl-3-sulfophenyl)phosphino]benzene-1,3-disulfonic acid IUPAC Name: 2-methyl-5-[(4-methyl-2-sulfophenyl)-(4-methyl-3-sulfophenyl)phosphanyl]benzene-1,3-disulfonic acid Traditional Name: 2-methyl-5-[(4-methyl-2-sulfo-phenyl)-(4-methyl-3-sulfo-phenyl)phosphino]benzene-1,3-disulfonic acid Formula: C21H21O12PS4 MolecularWeight: 624.618001

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)P(C2=CC(=C(C=C2)C)S(=O)(=O)O)C3=CC(=C(C(=C3)S(=O)(=O)O)C)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)P(C2=CC(=C(C=C2)C)S(=O)(=O)O)C3=CC(=C(C(=C3)S(=O)(=O)O)C)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C21H21O12PS4/c1-12-4-7-17(21(8-12)38(31,32)33)34(15-6-5-13(2)18(9-15)35(22,23)24)16-10-19(36(25,26)27)14(3)20(11-16)37(28,29)30/h4-11H,1-3H3,(H,22,23,24)(H,25,26,27)(H,28,29,30)(H,31,32,33)