sodium 4-octadecan-2-yl-3,6-bis(oxidanylidene)cyclohexa-1,4-diene-1-sulfonate

Systemtic Name: sodium 4-octadecan-2-yl-3,6-bis(oxidanylidene)cyclohexa-1,4-diene-1-sulfonate Openeye Name: sodium 4-(1-methylheptadecyl)-3,6-dioxo-cyclohexa-1,4-diene-1-sulfonate CAS Name: sodium 4-octadecan-2-yl-3,6-dioxo-1-cyclohexa-1,4-dienesulfonate IUPAC Name: sodium 4-octadecan-2-yl-3,6-dioxocyclohexa-1,4-diene-1-sulfonate Traditional Name: sodium 3,6-diketo-4-(1-methylheptadecyl)cyclohexa-1,4-diene-1-sulfonate Formula: C24H39NaO5S MolecularWeight: 462.61823

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C)C1=CC(=O)C(=CC1=O)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCC(C)C1=CC(=O)C(=CC1=O)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C24H40O5S.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(2)21-18-23(26)24(19-22(21)25)30(27,28)29;/h18-20H,3-17H2,1-2H3,(H,27,28,29);/q;+1/p-1