(2-dodecylphenyl)-phenoxy-methanedisulfonic acid

Systemtic Name: (2-dodecylphenyl)-phenoxy-methanedisulfonic acid Openeye Name: (2-dodecylphenyl)-phenoxy-methanedisulfonic acid CAS Name: (2-dodecylphenyl)-phenoxymethanedisulfonic acid IUPAC Name: (2-dodecylphenyl)-phenoxymethanedisulfonic acid Traditional Name: (2-laurylphenyl)-phenoxy-methanedisulfonic acid Formula: C25H36O7S2 MolecularWeight: 512.67914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1C(OC2=CC=CC=C2)(S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1C(OC2=CC=CC=C2)(S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C25H36O7S2/c1-2-3-4-5-6-7-8-9-10-12-17-22-18-15-16-21-24(22)25(33(26,27)28,34(29,30)31)32-23-19-13-11-14-20-23/h11,13-16,18-21H,2-10,12,17H2,1H3,(H,26,27,28)(H,29,30,31)