bis[2,3-bis[[2-(4-ethylnonadecanethioyloxy)phenyl]sulfanyl]phenyl] hexanedioate

Systemtic Name: bis[2,3-bis[[2-(4-ethylnonadecanethioyloxy)phenyl]sulfanyl]phenyl] hexanedioate Openeye Name: bis[2,3-bis[[2-(4-ethylnonadecanethioyloxy)phenyl]sulfanyl]phenyl] hexanedioate CAS Name: hexanedioic acid bis[2,3-bis[[2-(4-ethyl-1-sulfanylidenenonadecoxy)phenyl]thio]phenyl] ester IUPAC Name: bis[2,3-bis[[2-(4-ethylnonadecanethioyloxy)phenyl]sulfanyl]phenyl] hexanedioate Traditional Name: adipic acid bis[2,3-bis[[2-(4-ethylnonadecanethioyloxy)phenyl]thio]phenyl] ester Formula: C126H194O8S8 MolecularWeight: 2093.40376

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(CC)CCC(=S)OC1=CC=CC=C1SC2=CC=CC(=C2SC3=CC=CC=C3OC(=S)CCC(CC)CCCCCCCCCCCCCCC)OC(=O)CCCCC(=O)OC4=C(C(=CC=C4)SC5=CC=CC=C5OC(=S)CCC(CC)CCCCCCCCCCCCCCC)SC6=CC=CC=C6OC(=S)CCC(CC)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(CC)CCC(=S)OC1=CC=CC=C1SC2=CC=CC(=C2SC3=CC=CC=C3OC(=S)CCC(CC)CCCCCCCCCCCCCCC)OC(=O)CCCCC(=O)OC4=C(C(=CC=C4)SC5=CC=CC=C5OC(=S)CCC(CC)CCCCCCCCCCCCCCC)SC6=CC=CC=C6OC(=S)CCC(CC)CCCCCCCCCCCCCCC

InChI

InChI=1S/C126H194O8S8/c1-9-17-21-25-29-33-37-41-45-49-53-57-61-77-103(13-5)95-99-121(135)131-107-81-65-69-87-113(107)139-117-91-75-85-111(125(117)141-115-89-71-67-83-109(115)133-123(137)101-97-105(15-7)79-63-59-55-51-47-43-39-35-31-27-23-19-11-3)129-119(127)93-73-74-94-120(128)130-112-86-76-92-118(140-114-88-70-66-82-108(114)132-122(136)100-96-104(14-6)78-62-58-54-50-46-42-38-34-30-26-22-18-10-2)126(112)142-116-90-72-68-84-110(116)134-124(138)102-98-106(16-8)80-64-60-56-52-48-44-40-36-32-28-24-20-12-4/h65-72,75-76,81-92,103-106H,9-64,73-74,77-80,93-102H2,1-8H3