4-octadecylbenzene-1,2,3-trisulfonic acid

Systemtic Name: 4-octadecylbenzene-1,2,3-trisulfonic acid Openeye Name: 4-octadecylbenzene-1,2,3-trisulfonic acid CAS Name: 4-octadecylbenzene-1,2,3-trisulfonic acid IUPAC Name: 4-octadecylbenzene-1,2,3-trisulfonic acid Traditional Name: 4-stearylbenzene-1,2,3-trisulfonic acid Formula: C24H42O9S3 MolecularWeight: 570.77988

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=C(C(=C(C=C1)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=C(C(=C(C=C1)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C24H42O9S3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-19-20-22(34(25,26)27)24(36(31,32)33)23(21)35(28,29)30/h19-20H,2-18H2,1H3,(H,25,26,27)(H,28,29,30)(H,31,32,33)