sodium N-(4-methoxyphenyl)-N-[(E)-octadec-9-enyl]sulfamate

Systemtic Name: sodium N-(4-methoxyphenyl)-N-[(E)-octadec-9-enyl]sulfamate Openeye Name: sodium N-(4-methoxyphenyl)-N-[(E)-octadec-9-enyl]sulfamate CAS Name: sodium N-(4-methoxyphenyl)-N-[(E)-octadec-9-enyl]sulfamate IUPAC Name: sodium N-(4-methoxyphenyl)-N-[(E)-octadec-9-enyl]sulfamate Traditional Name: sodium N-(4-methoxyphenyl)-N-[(E)-octadec-9-enyl]sulfamate Formula: C25H42NNaO4S MolecularWeight: 475.66005

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCN(C1=CC=C(C=C1)OC)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCN(C1=CC=C(C=C1)OC)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C25H43NO4S.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-26(31(27,28)29)24-19-21-25(30-2)22-20-24;/h10-11,19-22H,3-9,12-18,23H2,1-2H3,(H,27,28,29);/q;+1/p-1/b11-10+;