disodium 3-nonyl-4-phenoxy-benzene-1,2-disulfonate

Systemtic Name: disodium 3-nonyl-4-phenoxy-benzene-1,2-disulfonate Openeye Name: disodium 3-nonyl-4-phenoxy-benzene-1,2-disulfonate CAS Name: disodium 3-nonyl-4-phenoxybenzene-1,2-disulfonate IUPAC Name: disodium 3-nonyl-4-phenoxybenzene-1,2-disulfonate Traditional Name: disodium 3-nonyl-4-phenoxy-benzene-1,2-disulfonate Formula: C21H26Na2O7S2 MolecularWeight: 500.53648

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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.[Na+].[Na+]

Isomeric SMILES

CCCCCCCCCC1=C(C=CC(=C1S(=O)(=O)[O-])S(=O)(=O)[O-])OC2=CC=CC=C2.[Na+].[Na+]

InChI

InChI=1S/C21H28O7S2.2Na/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);;/q;2*+1/p-2