2,2-bis[(E)-octadec-9-enyl]-3-sulfo-butanedioic acid

Systemtic Name: 2,2-bis[(E)-octadec-9-enyl]-3-sulfo-butanedioic acid Openeye Name: 2,2-bis[(E)-octadec-9-enyl]-3-sulfo-butanedioic acid CAS Name: 2,2-bis[(E)-octadec-9-enyl]-3-sulfobutanedioic acid IUPAC Name: 2,2-bis[(E)-octadec-9-enyl]-3-sulfobutanedioic acid Traditional Name: 2,2-bis[(E)-octadec-9-enyl]-3-sulfo-succinic acid Formula: C40H74O7S MolecularWeight: 699.07636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCC(CCCCCCCCC=CCCCCCCCC)(C(C(=O)O)S(=O)(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCC(C(=O)O)(C(S(=O)(=O)O)C(=O)O)CCCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C40H74O7S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40(39(43)44,37(38(41)42)48(45,46)47)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,37H,3-16,21-36H2,1-2H3,(H,41,42)(H,43,44)(H,45,46,47)/b19-17+,20-18+