3-decyl-4-phenoxy-benzene-1,2-disulfonic acid

Systemtic Name: 3-decyl-4-phenoxy-benzene-1,2-disulfonic acid Openeye Name: 3-decyl-4-phenoxy-benzene-1,2-disulfonic acid CAS Name: 3-decyl-4-phenoxybenzene-1,2-disulfonic acid IUPAC Name: 3-decyl-4-phenoxybenzene-1,2-disulfonic acid Traditional Name: 3-decyl-4-phenoxy-benzene-1,2-disulfonic acid Formula: C22H30O7S2 MolecularWeight: 470.5994

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=C(C=CC(=C1S(=O)(=O)O)S(=O)(=O)O)OC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCC1=C(C=CC(=C1S(=O)(=O)O)S(=O)(=O)O)OC2=CC=CC=C2

InChI

InChI=1S/C22H30O7S2/c1-2-3-4-5-6-7-8-12-15-19-20(29-18-13-10-9-11-14-18)16-17-21(30(23,24)25)22(19)31(26,27)28/h9-11,13-14,16-17H,2-8,12,15H2,1H3,(H,23,24,25)(H,26,27,28)