sodium (E)-1,7-bis(4-hydroxyphenyl)-7-oxidanyl-hept-5-ene-3-sulfonate

Systemtic Name: sodium (E)-1,7-bis(4-hydroxyphenyl)-7-oxidanyl-hept-5-ene-3-sulfonate Openeye Name: sodium (E)-7-hydroxy-1,7-bis(4-hydroxyphenyl)hept-5-ene-3-sulfonate CAS Name: sodium (E)-7-hydroxy-1,7-bis(4-hydroxyphenyl)-5-heptene-3-sulfonate IUPAC Name: sodium (E)-7-hydroxy-1,7-bis(4-hydroxyphenyl)hept-5-ene-3-sulfonate Traditional Name: sodium (E)-7-hydroxy-1,7-bis(4-hydroxyphenyl)hept-5-ene-3-sulfonate Formula: C19H21NaO6S MolecularWeight: 400.42121

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(CC=CC(C2=CC=C(C=C2)O)O)S(=O)(=O)[O-])O.[Na+]

Isomeric SMILES

C1=CC(=CC=C1CCC(C/C=C/C(C2=CC=C(C=C2)O)O)S(=O)(=O)[O-])O.[Na+]

InChI

InChI=1S/C19H22O6S.Na/c20-16-9-4-14(5-10-16)6-13-18(26(23,24)25)2-1-3-19(22)15-7-11-17(21)12-8-15;/h1,3-5,7-12,18-22H,2,6,13H2,(H,23,24,25);/q;+1/p-1/b3-1+;