5-[(4-methylphenyl)methylsulfinamoyl]benzene-1,3-disulfonic acid

Systemtic Name: 5-[(4-methylphenyl)methylsulfinamoyl]benzene-1,3-disulfonic acid Openeye Name: 5-(p-tolylmethylsulfinamoyl)benzene-1,3-disulfonic acid CAS Name: 5-[(4-methylphenyl)methylsulfinamoyl]benzene-1,3-disulfonic acid IUPAC Name: 5-[(4-methylphenyl)methylsulfinamoyl]benzene-1,3-disulfonic acid Traditional Name: 5-(4-methylbenzyl)sulfinamoylbenzene-1,3-disulfonic acid Formula: C14H15NO7S3 MolecularWeight: 405.4664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNS(=O)C2=CC(=CC(=C2)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CNS(=O)C2=CC(=CC(=C2)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C14H15NO7S3/c1-10-2-4-11(5-3-10)9-15-23(16)12-6-13(24(17,18)19)8-14(7-12)25(20,21)22/h2-8,15H,9H2,1H3,(H,17,18,19)(H,20,21,22)