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3-nonyl-4-phenoxy-benzene-1,2-disulfonic acid

3-nonyl-4-phenoxy-benzene-1,2-disulfonic acid

Systemtic Name:3-nonyl-4-phenoxy-benzene-1,2-disulfonic acid
Openeye Name:3-nonyl-4-phenoxy-benzene-1,2-disulfonic acid
CAS Name:3-nonyl-4-phenoxybenzene-1,2-disulfonic acid
IUPAC Name:3-nonyl-4-phenoxybenzene-1,2-disulfonic acid
Traditional Name:3-nonyl-4-phenoxy-benzene-1,2-disulfonic acid
Formula: C21H28O7S2
MolecularWeight: 456.57282
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=C(C=CC(=C1S(=O)(=O)O)S(=O)(=O)O)OC2=CC=CC=C2


Isomeric SMILES

CCCCCCCCCC1=C(C=CC(=C1S(=O)(=O)O)S(=O)(=O)O)OC2=CC=CC=C2


InChI

InChI=1S/C21H28O7S2/c1-2-3-4-5-6-7-11-14-18-19(28-17-12-9-8-10-13-17)15-16-20(29(22,23)24)21(18)30(25,26)27/h8-10,12-13,15-16H,2-7,11,14H2,1H3,(H,22,23,24)(H,25,26,27)


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