disodium 1-dodecyl-3-sulfonatosulfonyl-benzene

Systemtic Name: disodium 1-dodecyl-3-sulfonatosulfonyl-benzene Openeye Name: disodium 1-dodecyl-3-sulfonatosulfonyl-benzene CAS Name: disodium 1-dodecyl-3-sulfonatosulfonylbenzene IUPAC Name: disodium 1-dodecyl-3-sulfonatosulfonylbenzene Traditional Name: disodium 1-lauryl-3-sulfonatosulfonyl-benzene Formula: C36H58Na2O10S4 MolecularWeight: 825.07926

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC(=CC=C1)S(=O)(=O)S(=O)(=O)[O-].CCCCCCCCCCCCC1=CC(=CC=C1)S(=O)(=O)S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CCCCCCCCCCCCC1=CC(=CC=C1)S(=O)(=O)S(=O)(=O)[O-].CCCCCCCCCCCCC1=CC(=CC=C1)S(=O)(=O)S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/2C18H30O5S2.2Na/c2*1-2-3-4-5-6-7-8-9-10-11-13-17-14-12-15-18(16-17)24(19,20)25(21,22)23;;/h2*12,14-16H,2-11,13H2,1H3,(H,21,22,23);;/q;;2*+1/p-2