azanium 2,3-bis[(E)-octadec-9-enoyl]-2-sulfo-butanedioate

Systemtic Name: azanium 2,3-bis[(E)-octadec-9-enoyl]-2-sulfo-butanedioate Openeye Name: ammonium 2,3-bis[(E)-octadec-9-enoyl]-2-sulfo-butanedioate CAS Name: ammonium 2,3-bis[(E)-1-oxooctadec-9-enyl]-2-sulfobutanedioate IUPAC Name: azanium 2,3-bis[(E)-octadec-9-enoyl]-2-sulfobutanedioate Traditional Name: ammonium 2,3-bis[(E)-octadec-9-enoyl]-2-sulfo-succinate Formula: C40H72NO9S- MolecularWeight: 743.06598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)C(C(=O)[O-])C(C(=O)CCCCCCCC=CCCCCCCCC)(C(=O)[O-])S(=O)(=O)O.[NH4+]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)C(C(=O)[O-])C(C(=O)CCCCCCC/C=C/CCCCCCCC)(C(=O)[O-])S(=O)(=O)O.[NH4+]

InChI

InChI=1S/C40H70O9S.H3N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35(41)37(38(43)44)40(39(45)46,50(47,48)49)36(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h17-20,37H,3-16,21-34H2,1-2H3,(H,43,44)(H,45,46)(H,47,48,49);1H3/p-1/b19-17+,20-18+;