bis[(6E,9E,27E)-hexatriaconta-6,9,27-trien-18-yl]carbamodithioic acid

Systemtic Name: bis[(6E,9E,27E)-hexatriaconta-6,9,27-trien-18-yl]carbamodithioic acid Openeye Name: bis[(E)-1-[(8E,11E)-heptadeca-8,11-dienyl]nonadec-10-enyl]carbamodithioic acid CAS Name: bis[(6E,9E,27E)-hexatriaconta-6,9,27-trien-18-yl]carbamodithioic acid IUPAC Name: bis[(6E,9E,27E)-hexatriaconta-6,9,27-trien-18-yl]carbamodithioic acid Traditional Name: bis[(9E,12E)-1-[(E)-octadec-9-enyl]octadeca-9,12-dienyl]carbamodithioic acid Formula: C73H135NS2 MolecularWeight: 1090.9897

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCC(CCCCCCCC=CCC=CCCCCC)N(C(CCCCCCCCC=CCCCCCCCC)CCCCCCCC=CCC=CCCCCC)C(=S)S

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCC(N(C(=S)S)C(CCCCCCC/C=C/C/C=C/CCCCC)CCCCCCCC/C=C/CCCCCCCC)CCCCCCC/C=C/C/C=C/CCCCC

InChI

InChI=1S/C73H135NS2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-71(67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)74(73(75)76)72(68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h23-24,27-28,33-40,71-72H,5-22,25-26,29-32,41-70H2,1-4H3,(H,75,76)/b27-23+,28-24+,37-33+,38-34+,39-35+,40-36+