3-decyl-6-phenoxy-benzene-1,2-disulfonic acid

Systemtic Name: 3-decyl-6-phenoxy-benzene-1,2-disulfonic acid Openeye Name: 3-decyl-6-phenoxy-benzene-1,2-disulfonic acid CAS Name: 3-decyl-6-phenoxybenzene-1,2-disulfonic acid IUPAC Name: 3-decyl-6-phenoxybenzene-1,2-disulfonic acid Traditional Name: 3-decyl-6-phenoxy-benzene-1,2-disulfonic acid Formula: C22H30O7S2 MolecularWeight: 470.5994

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=C(C(=C(C=C1)OC2=CC=CC=C2)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCC1=C(C(=C(C=C1)OC2=CC=CC=C2)S(=O)(=O)O)S(=O)(=O)O

InChI

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