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

Systemtic Name: disodium 3-butyl-4-phenoxy-benzene-1,2-disulfonate Openeye Name: disodium 3-butyl-4-phenoxy-benzene-1,2-disulfonate CAS Name: disodium 3-butyl-4-phenoxybenzene-1,2-disulfonate IUPAC Name: disodium 3-butyl-4-phenoxybenzene-1,2-disulfonate Traditional Name: disodium 3-butyl-4-phenoxy-benzene-1,2-disulfonate Formula: C16H16Na2O7S2 MolecularWeight: 430.40358

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=CC(=C1S(=O)(=O)[O-])S(=O)(=O)[O-])OC2=CC=CC=C2.[Na+].[Na+]

Isomeric SMILES

CCCCC1=C(C=CC(=C1S(=O)(=O)[O-])S(=O)(=O)[O-])OC2=CC=CC=C2.[Na+].[Na+]

InChI

InChI=1S/C16H18O7S2.2Na/c1-2-3-9-13-14(23-12-7-5-4-6-8-12)10-11-15(24(17,18)19)16(13)25(20,21)22;;/h4-8,10-11H,2-3,9H2,1H3,(H,17,18,19)(H,20,21,22);;/q;2*+1/p-2