disodium; dodecylbenzene; sulfonatomethanoate

Systemtic Name: disodium; dodecylbenzene; sulfonatomethanoate Openeye Name: disodium; dodecylbenzene; sulfonatoformate CAS Name: disodium; dodecylbenzene; sulfonatoformate IUPAC Name: disodium; dodecylbenzene; sulfonatoformate Traditional Name: disodium; laurylbenzene; sulfonatoformate Formula: C37H60Na2O5S MolecularWeight: 662.91384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C18H30.CH2O5S.2Na/c2*1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18;2-1(3)7(4,5)6;;/h2*11,13-14,16-17H,2-10,12,15H2,1H3;(H,2,3)(H,4,5,6);;/q;;;2*+1/p-2