4-octadecan-2-yl-3,6-bis(oxidanylidene)cyclohexa-1,4-diene-1-sulfonic acid

Systemtic Name: 4-octadecan-2-yl-3,6-bis(oxidanylidene)cyclohexa-1,4-diene-1-sulfonic acid Openeye Name: 4-(1-methylheptadecyl)-3,6-dioxo-cyclohexa-1,4-diene-1-sulfonic acid CAS Name: 4-octadecan-2-yl-3,6-dioxo-1-cyclohexa-1,4-dienesulfonic acid IUPAC Name: 4-octadecan-2-yl-3,6-dioxocyclohexa-1,4-diene-1-sulfonic acid Traditional Name: 3,6-diketo-4-(1-methylheptadecyl)cyclohexa-1,4-diene-1-sulfonic acid Formula: C24H40O5S MolecularWeight: 440.6364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C)C1=CC(=O)C(=CC1=O)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCC(C)C1=CC(=O)C(=CC1=O)S(=O)(=O)O

InChI

InChI=1S/C24H40O5S/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)