1-oxidanylidene-1-[2-(2-sulfopent-4-enoyloxy)phenoxy]pent-4-ene-2-sulfonic acid

Systemtic Name: 1-oxidanylidene-1-[2-(2-sulfopent-4-enoyloxy)phenoxy]pent-4-ene-2-sulfonic acid Openeye Name: 1-oxo-1-[2-(2-sulfopent-4-enoyloxy)phenoxy]pent-4-ene-2-sulfonic acid CAS Name: 1-oxo-1-[2-(1-oxo-2-sulfopent-4-enoxy)phenoxy]-4-pentene-2-sulfonic acid IUPAC Name: 1-oxo-1-[2-(2-sulfopent-4-enoyloxy)phenoxy]pent-4-ene-2-sulfonic acid Traditional Name: 1-keto-1-[2-(2-sulfopent-4-enoyloxy)phenoxy]pent-4-ene-2-sulfonic acid Formula: C16H18O10S2 MolecularWeight: 434.43812

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(C(=O)OC1=CC=CC=C1OC(=O)C(CC=C)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C=CCC(C(=O)OC1=CC=CC=C1OC(=O)C(CC=C)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C16H18O10S2/c1-3-7-13(27(19,20)21)15(17)25-11-9-5-6-10-12(11)26-16(18)14(8-4-2)28(22,23)24/h3-6,9-10,13-14H,1-2,7-8H2,(H,19,20,21)(H,22,23,24)