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2-(3-hexadecylphenoxy)benzene-1,4-disulfonic acid

2-(3-hexadecylphenoxy)benzene-1,4-disulfonic acid

Systemtic Name:2-(3-hexadecylphenoxy)benzene-1,4-disulfonic acid
Openeye Name:2-(3-hexadecylphenoxy)benzene-1,4-disulfonic acid
CAS Name:2-(3-hexadecylphenoxy)benzene-1,4-disulfonic acid
IUPAC Name:2-(3-hexadecylphenoxy)benzene-1,4-disulfonic acid
Traditional Name:2-(3-cetylphenoxy)benzene-1,4-disulfonic acid
Formula: C28H42O7S2
MolecularWeight: 554.75888
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1=CC(=CC=C1)OC2=C(C=CC(=C2)S(=O)(=O)O)S(=O)(=O)O


Isomeric SMILES

CCCCCCCCCCCCCCCCC1=CC(=CC=C1)OC2=C(C=CC(=C2)S(=O)(=O)O)S(=O)(=O)O


InChI

InChI=1S/C28H42O7S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-24-18-16-19-25(22-24)35-27-23-26(36(29,30)31)20-21-28(27)37(32,33)34/h16,18-23H,2-15,17H2,1H3,(H,29,30,31)(H,32,33,34)


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