disodium 3,4-bis(7-methyloctyl)naphthalene-1,2-disulfonate

Systemtic Name: disodium 3,4-bis(7-methyloctyl)naphthalene-1,2-disulfonate Openeye Name: disodium 3,4-bis(7-methyloctyl)naphthalene-1,2-disulfonate CAS Name: disodium 3,4-bis(7-methyloctyl)naphthalene-1,2-disulfonate IUPAC Name: disodium 3,4-bis(7-methyloctyl)naphthalene-1,2-disulfonate Traditional Name: disodium 3,4-bis(7-methyloctyl)naphthalene-1,2-disulfonate Formula: C28H42Na2O6S2 MolecularWeight: 584.73902

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCC1=C(C(=C(C2=CC=CC=C21)S(=O)(=O)[O-])S(=O)(=O)[O-])CCCCCCC(C)C.[Na+].[Na+]

Isomeric SMILES

CC(C)CCCCCCC1=C(C(=C(C2=CC=CC=C21)S(=O)(=O)[O-])S(=O)(=O)[O-])CCCCCCC(C)C.[Na+].[Na+]

InChI

InChI=1S/C28H44O6S2.2Na/c1-21(2)15-9-5-7-11-17-23-24-18-13-14-20-26(24)28(36(32,33)34)27(35(29,30)31)25(23)19-12-8-6-10-16-22(3)4;;/h13-14,18,20-22H,5-12,15-17,19H2,1-4H3,(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2