2-[(2-butyl-5-docosyl-4-ethyl-2-methyl-3-tetratetracontyl-4-tritriacontyl-6-undecyl-cyclohexyl)methylsulfanylmethyl]-4-docosyl-5,6-dimethyl-N-pentapentacont-1-en-2-yl-3-undecyl-cyclohexan-1-amine

Systemtic Name: 2-[(2-butyl-5-docosyl-4-ethyl-2-methyl-3-tetratetracontyl-4-tritriacontyl-6-undecyl-cyclohexyl)methylsulfanylmethyl]-4-docosyl-5,6-dimethyl-N-pentapentacont-1-en-2-yl-3-undecyl-cyclohexan-1-amine Openeye Name: 2-[(2-butyl-5-docosyl-4-ethyl-2-methyl-3-tetratetracontyl-4-tritriacontyl-6-undecyl-cyclohexyl)methylsulfanylmethyl]-4-docosyl-5,6-dimethyl-N-(1-methylenetetrapentacontyl)-3-undecyl-cyclohexanamine CAS Name: 2-[[(2-butyl-5-docosyl-4-ethyl-2-methyl-3-tetratetracontyl-4-tritriacontyl-6-undecylcyclohexyl)methylthio]methyl]-4-docosyl-5,6-dimethyl-N-pentapentacont-1-en-2-yl-3-undecyl-1-cyclohexanamine IUPAC Name: 2-[(2-butyl-5-docosyl-4-ethyl-2-methyl-3-tetratetracontyl-4-tritriacontyl-6-undecylcyclohexyl)methylsulfanylmethyl]-4-docosyl-5,6-dimethyl-N-pentapentacont-1-en-2-yl-3-undecylcyclohexan-1-amine Traditional Name: [4-behenyl-2-[[(5-behenyl-2-butyl-4-ethyl-2-methyl-3-tetratetracontyl-4-tritriacontyl-6-undecyl-cyclohexyl)methylthio]methyl]-5,6-dimethyl-3-undecyl-cyclohexyl]-(1-tripentacontylvinyl)amine Formula: C221H439NS MolecularWeight: 3142.92206

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=C)NC1C(C(C(C(C1CSCC2C(C(C(C(C2(C)CCCC)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)(CC)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCC)CCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCC)C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=C)NC1C(C(C(C(C1CSCC2C(C(C(C(C2(C)CCCC)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)(CC)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCC)CCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCC)C)C

InChI

InChI=1S/C221H439NS/c1-14-23-31-38-45-52-57-62-67-72-77-82-85-88-91-94-97-99-101-103-105-107-109-110-111-112-113-114-115-116-117-118-120-122-124-126-128-131-134-137-140-143-146-151-156-161-166-173-178-185-192-199-209(10)222-219-211(12)210(11)212(200-193-186-179-174-167-162-157-152-147-80-75-70-65-60-55-48-41-34-26-17-4)213(201-194-187-180-171-50-43-36-28-19-6)215(219)207-223-208-217-214(202-195-188-181-172-51-44-37-29-20-7)216(203-196-189-182-175-168-163-158-153-148-81-76-71-66-61-56-49-42-35-27-18-5)221(22-9,206-198-191-184-177-170-165-160-155-150-145-142-139-136-133-130-96-93-90-87-84-79-74-69-64-59-54-47-40-33-25-16-3)218(220(217,13)205-30-21-8)204-197-190-183-176-169-164-159-154-149-144-141-138-135-132-129-127-125-123-121-119-108-106-104-102-100-98-95-92-89-86-83-78-73-68-63-58-53-46-39-32-24-15-2/h210-219,222H,10,14-208H2,1-9,11-13H3