3-hexadecylnaphthalene-1,2-disulfonic acid

Systemtic Name: 3-hexadecylnaphthalene-1,2-disulfonic acid Openeye Name: 3-hexadecylnaphthalene-1,2-disulfonic acid CAS Name: 3-hexadecylnaphthalene-1,2-disulfonic acid IUPAC Name: 3-hexadecylnaphthalene-1,2-disulfonic acid Traditional Name: 3-cetylnaphthalene-1,2-disulfonic acid Formula: C26H40O6S2 MolecularWeight: 512.7222

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1=CC2=CC=CC=C2C(=C1S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCC1=CC2=CC=CC=C2C(=C1S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C26H40O6S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-23-21-22-18-16-17-20-24(22)26(34(30,31)32)25(23)33(27,28)29/h16-18,20-21H,2-15,19H2,1H3,(H,27,28,29)(H,30,31,32)