2-nonyl-3-(2-nonyl-3-oxidanylidene-cyclohexa-1,5-dien-1-yl)oxy-cyclohexa-2,4-dien-1-one; sulfuric acid

Systemtic Name: 2-nonyl-3-(2-nonyl-3-oxidanylidene-cyclohexa-1,5-dien-1-yl)oxy-cyclohexa-2,4-dien-1-one; sulfuric acid Openeye Name: 2-nonyl-3-(2-nonyl-3-oxo-cyclohexa-1,5-dien-1-yl)oxy-cyclohexa-2,4-dien-1-one; sulfuric acid CAS Name: 2-nonyl-3-[(2-nonyl-3-oxo-1-cyclohexa-1,5-dienyl)oxy]-1-cyclohexa-2,4-dienone; sulfuric acid IUPAC Name: 2-nonyl-3-(2-nonyl-3-oxocyclohexa-1,5-dien-1-yl)oxycyclohexa-2,4-dien-1-one; sulfuric acid Traditional Name: 3-(3-keto-2-nonyl-cyclohexa-1,5-dien-1-yl)oxy-2-nonyl-cyclohexa-2,4-dien-1-one; sulfuric acid Formula: C30H48O7S MolecularWeight: 552.76292

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=C(C=CCC1=O)OC2=C(C(=O)CC=C2)CCCCCCCCC.OS(=O)(=O)O

Isomeric SMILES

CCCCCCCCCC1=C(C=CCC1=O)OC2=C(C(=O)CC=C2)CCCCCCCCC.OS(=O)(=O)O

InChI

InChI=1S/C30H46O3.H2O4S/c1-3-5-7-9-11-13-15-19-25-27(31)21-17-23-29(25)33-30-24-18-22-28(32)26(30)20-16-14-12-10-8-6-4-2;1-5(2,3)4/h17-18,23-24H,3-16,19-22H2,1-2H3;(H2,1,2,3,4)