diazanium 3-dodecyl-4-phenoxy-benzene-1,2-disulfonate

Systemtic Name: diazanium 3-dodecyl-4-phenoxy-benzene-1,2-disulfonate Openeye Name: diammonium 3-dodecyl-4-phenoxy-benzene-1,2-disulfonate CAS Name: diammonium 3-dodecyl-4-phenoxybenzene-1,2-disulfonate IUPAC Name: diazanium 3-dodecyl-4-phenoxybenzene-1,2-disulfonate Traditional Name: diammonium 3-lauryl-4-phenoxy-benzene-1,2-disulfonate Formula: C24H40N2O7S2 MolecularWeight: 532.7136

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=C(C=CC(=C1S(=O)(=O)[O-])S(=O)(=O)[O-])OC2=CC=CC=C2.[NH4+].[NH4+]

Isomeric SMILES

CCCCCCCCCCCCC1=C(C=CC(=C1S(=O)(=O)[O-])S(=O)(=O)[O-])OC2=CC=CC=C2.[NH4+].[NH4+]

InChI

InChI=1S/C24H34O7S2.2H3N/c1-2-3-4-5-6-7-8-9-10-14-17-21-22(31-20-15-12-11-13-16-20)18-19-23(32(25,26)27)24(21)33(28,29)30;;/h11-13,15-16,18-19H,2-10,14,17H2,1H3,(H,25,26,27)(H,28,29,30);2*1H3