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3-pentadecylnaphthalene-1,2-disulfonic acid

3-pentadecylnaphthalene-1,2-disulfonic acid

Systemtic Name:3-pentadecylnaphthalene-1,2-disulfonic acid
Openeye Name:3-pentadecylnaphthalene-1,2-disulfonic acid
CAS Name:3-pentadecylnaphthalene-1,2-disulfonic acid
IUPAC Name:3-pentadecylnaphthalene-1,2-disulfonic acid
Traditional Name:3-pentadecylnaphthalene-1,2-disulfonic acid
Formula: C25H38O6S2
MolecularWeight: 498.69562
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=CC2=CC=CC=C2C(=C1S(=O)(=O)O)S(=O)(=O)O


Isomeric SMILES

CCCCCCCCCCCCCCCC1=CC2=CC=CC=C2C(=C1S(=O)(=O)O)S(=O)(=O)O


InChI

InChI=1S/C25H38O6S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-22-20-21-17-15-16-19-23(21)25(33(29,30)31)24(22)32(26,27)28/h15-17,19-20H,2-14,18H2,1H3,(H,26,27,28)(H,29,30,31)


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