(2E,6Z)-1-acetyloxy-3,7,11-trimethyl-5-phenyl-dodeca-2,6,10-triene-1-sulfonic acid

Systemtic Name: (2E,6Z)-1-acetyloxy-3,7,11-trimethyl-5-phenyl-dodeca-2,6,10-triene-1-sulfonic acid Openeye Name: (2E,6Z)-1-acetoxy-3,7,11-trimethyl-5-phenyl-dodeca-2,6,10-triene-1-sulfonic acid CAS Name: (2E,6Z)-1-acetyloxy-3,7,11-trimethyl-5-phenyl-1-dodeca-2,6,10-trienesulfonic acid IUPAC Name: (2E,6Z)-1-acetyloxy-3,7,11-trimethyl-5-phenyldodeca-2,6,10-triene-1-sulfonic acid Traditional Name: (2E,6Z)-1-acetoxy-3,7,11-trimethyl-5-phenyl-dodeca-2,6,10-triene-1-sulfonic acid Formula: C23H32O5S MolecularWeight: 420.56218

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(=CC(CC(=CC(OC(=O)C)S(=O)(=O)O)C)C1=CC=CC=C1)C)C

Isomeric SMILES

CC(=CCC/C(=C\C(C/C(=C/C(OC(=O)C)S(=O)(=O)O)/C)C1=CC=CC=C1)/C)C

InChI

InChI=1S/C23H32O5S/c1-17(2)10-9-11-18(3)14-22(21-12-7-6-8-13-21)15-19(4)16-23(28-20(5)24)29(25,26)27/h6-8,10,12-14,16,22-23H,9,11,15H2,1-5H3,(H,25,26,27)/b18-14-,19-16+