4,4-bis(1-sulfoprop-2-enyl)hepta-1,6-diene-3,5-disulfonic acid

Systemtic Name: 4,4-bis(1-sulfoprop-2-enyl)hepta-1,6-diene-3,5-disulfonic acid Openeye Name: 4,4-bis(1-sulfoallyl)hepta-1,6-diene-3,5-disulfonic acid CAS Name: 4,4-bis(1-sulfoprop-2-enyl)hepta-1,6-diene-3,5-disulfonic acid IUPAC Name: 4,4-bis(1-sulfoprop-2-enyl)hepta-1,6-diene-3,5-disulfonic acid Traditional Name: 4,4-bis(1-sulfoallyl)hepta-1,6-diene-3,5-disulfonic acid Formula: C13H20O12S4 MolecularWeight: 496.5507

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(C(C(C=C)S(=O)(=O)O)(C(C=C)S(=O)(=O)O)C(C=C)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C=CC(C(C(C=C)S(=O)(=O)O)(C(C=C)S(=O)(=O)O)C(C=C)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C13H20O12S4/c1-5-9(26(14,15)16)13(10(6-2)27(17,18)19,11(7-3)28(20,21)22)12(8-4)29(23,24)25/h5-12H,1-4H2,(H,14,15,16)(H,17,18,19)(H,20,21,22)(H,23,24,25)