sodium (E)-19-isothiocyanatohexatriacont-9-ene

Systemtic Name: sodium (E)-19-isothiocyanatohexatriacont-9-ene Openeye Name: sodium (E)-19-isothiocyanatohexatriacont-9-ene CAS Name: sodium (E)-19-isothiocyanato-9-hexatriacontene IUPAC Name: sodium (E)-19-isothiocyanatohexatriacont-9-ene Traditional Name: sodium (E)-19-isothiocyanatohexatriacont-9-ene Formula: C37H71NNaS+ MolecularWeight: 585.02111

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(CCCCCCCCC=CCCCCCCCC)N=C=S.[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(CCCCCCCC/C=C/CCCCCCCC)N=C=S.[Na+]

InChI

InChI=1S/C37H71NS.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37(38-36-39)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h17,19,37H,3-16,18,20-35H2,1-2H3;/q;+1/b19-17+;