ethyl 5-[5-[2-(4-dictyl-4-hexyl-2,3-dihydrothiochromen-6-yl)ethynyl]furan-2-yl]pentanoate

Systemtic Name: ethyl 5-[5-[2-(4-dictyl-4-hexyl-2,3-dihydrothiochromen-6-yl)ethynyl]furan-2-yl]pentanoate Openeye Name: ethyl 5-[5-[2-(4-dictyl-4-hexyl-thiochroman-6-yl)ethynyl]-2-furyl]pentanoate CAS Name: 5-[5-[2-(4-dictyl-4-hexyl-2,3-dihydro-1-benzothiopyran-6-yl)ethynyl]-2-furanyl]pentanoic acid ethyl ester IUPAC Name: ethyl 5-[5-[2-(4-dictyl-4-hexyl-2,3-dihydrothiochromen-6-yl)ethynyl]furan-2-yl]pentanoate Traditional Name: 5-[5-[2-(4-dictyl-4-hexyl-thiochroman-6-yl)ethynyl]-2-furyl]valeric acid ethyl ester Formula: C228H436O3S MolecularWeight: 3257.96464

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC1(CCSC2=C1C=C(C=C2)C#CC3=CC=C(O3)CCCCC(=O)OCC)CCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC1(CCSC2=C1C=C(C=C2)C#CC3=CC=C(O3)CCCCC(=O)OCC)CCCCCC

InChI

InChI=1S/C228H436O3S/c1-4-7-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-45-46-47-48-49-50-51-52-53-54-55-56-57-58-59-60-61-62-63-64-65-66-67-68-69-70-71-72-73-74-75-76-77-78-79-80-81-82-83-84-85-86-87-88-89-90-91-92-93-94-95-96-97-98-99-100-101-102-103-104-105-106-107-108-109-110-111-112-113-114-115-116-117-118-119-120-121-122-123-124-125-126-127-128-129-130-131-132-133-134-135-136-137-138-139-140-141-142-143-144-145-146-147-148-149-150-151-152-153-154-155-156-157-158-159-160-161-162-163-164-165-166-167-168-169-170-171-172-173-174-175-176-177-178-179-180-181-182-183-184-185-186-187-188-189-190-191-192-193-194-195-196-197-198-199-200-201-202-203-204-208-218-228(217-207-10-8-5-2)219-220-232-226-216-212-222(221-225(226)228)211-213-224-215-214-223(231-224)209-205-206-210-227(229)230-6-3/h212,214-216,221H,4-210,217-220H2,1-3H3