sodium (2R,14Z,20Z)-1-sulfooxytricosa-14,20-dien-3,5,10,12,22-pentayn-2-olate

Systemtic Name: sodium (2R,14Z,20Z)-1-sulfooxytricosa-14,20-dien-3,5,10,12,22-pentayn-2-olate Openeye Name: sodium (2R,14Z,20Z)-1-sulfooxytricosa-14,20-dien-3,5,10,12,22-pentayn-2-olate CAS Name: sodium (2R,14Z,20Z)-1-sulfooxy-2-tricosa-14,20-dien-3,5,10,12,22-pentaynolate IUPAC Name: sodium (2R,14Z,20Z)-1-sulfooxytricosa-14,20-dien-3,5,10,12,22-pentayn-2-olate Traditional Name: sodium (2R,14Z,20Z)-1-sulfoxytricosa-14,20-dien-3,5,10,12,22-pentayn-2-olate Formula: C23H23NaO5S MolecularWeight: 434.48049

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Descriptors Computed from Structure

Canonical SMILES:

C#CC=CCCCCC=CC#CC#CCCCC#CC#CC(COS(=O)(=O)O)[O-].[Na+]

Isomeric SMILES

C#C/C=C\CCCC/C=C\C#CC#CCCCC#CC#C[C@H](COS(=O)(=O)O)[O-].[Na+]

InChI

InChI=1S/C23H23O5S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(24)22-28-29(25,26)27;/h1,3-4,9-10,23H,5-8,15-17,22H2,(H,25,26,27);/q-1;+1/b4-3-,10-9-;/t23-;/m1./s1