3-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]-4-[(E)-octadec-1-enyl]-2-oxidanyl-benzenesulfonic acid

Systemtic Name: 3-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]-4-[(E)-octadec-1-enyl]-2-oxidanyl-benzenesulfonic acid Openeye Name: 3-(2,5-dioxopyrrolidin-1-yl)-2-hydroxy-4-[(E)-octadec-1-enyl]benzenesulfonic acid CAS Name: 3-(2,5-dioxo-1-pyrrolidinyl)-2-hydroxy-4-[(E)-octadec-1-enyl]benzenesulfonic acid IUPAC Name: 3-(2,5-dioxopyrrolidin-1-yl)-2-hydroxy-4-[(E)-octadec-1-enyl]benzenesulfonic acid Traditional Name: 2-hydroxy-4-[(E)-octadec-1-enyl]-3-succinimido-besylic acid Formula: C28H43NO6S MolecularWeight: 521.70912

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC=CC1=C(C(=C(C=C1)S(=O)(=O)O)O)N2C(=O)CCC2=O

Isomeric SMILES

CCCCCCCCCCCCCCCC/C=C/C1=C(C(=C(C=C1)S(=O)(=O)O)O)N2C(=O)CCC2=O

InChI

InChI=1S/C28H43NO6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-19-20-24(36(33,34)35)28(32)27(23)29-25(30)21-22-26(29)31/h17-20,32H,2-16,21-22H2,1H3,(H,33,34,35)/b18-17+