[2,5-bis(oxidanylidene)pyrrolidin-1-yl] 2-[(E)-16-methylheptadec-1-enyl]-6-oxidanyl-benzenesulfonate

Systemtic Name: [2,5-bis(oxidanylidene)pyrrolidin-1-yl] 2-[(E)-16-methylheptadec-1-enyl]-6-oxidanyl-benzenesulfonate Openeye Name: (2,5-dioxopyrrolidin-1-yl) 2-hydroxy-6-[(E)-16-methylheptadec-1-enyl]benzenesulfonate CAS Name: 2-hydroxy-6-[(E)-16-methylheptadec-1-enyl]benzenesulfonic acid (2,5-dioxo-1-pyrrolidinyl) ester IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 2-hydroxy-6-[(E)-16-methylheptadec-1-enyl]benzenesulfonate Traditional Name: 2-hydroxy-6-[(E)-16-methylheptadec-1-enyl]benzenesulfonic acid succinimido ester Formula: C28H43NO6S MolecularWeight: 521.70912

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCCCC=CC1=C(C(=CC=C1)O)S(=O)(=O)ON2C(=O)CCC2=O

Isomeric SMILES

CC(C)CCCCCCCCCCCCC/C=C/C1=C(C(=CC=C1)O)S(=O)(=O)ON2C(=O)CCC2=O

InChI

InChI=1S/C28H43NO6S/c1-23(2)17-14-12-10-8-6-4-3-5-7-9-11-13-15-18-24-19-16-20-25(30)28(24)36(33,34)35-29-26(31)21-22-27(29)32/h15-16,18-20,23,30H,3-14,17,21-22H2,1-2H3/b18-15+