17,17,18,18,48,48-hexakis(16-oxidanyl-16-oxidanylidene-hexadecyl)tetrahexacontanedioic acid

Systemtic Name: 17,17,18,18,48,48-hexakis(16-oxidanyl-16-oxidanylidene-hexadecyl)tetrahexacontanedioic acid Openeye Name: 17,17,18,18,48,48-hexakis(16-hydroxy-16-oxo-hexadecyl)tetrahexacontanedioic acid CAS Name: 17,17,18,18,48,48-hexakis(16-hydroxy-16-oxohexadecyl)tetrahexacontanedioic acid IUPAC Name: 17,17,18,18,48,48-hexakis(16-hydroxy-16-oxohexadecyl)tetrahexacontanedioic acid Traditional Name: 17,17,18,18,48,48-hexakis(16-hydroxy-16-keto-hexadecyl)tetrahexacontanedioic acid Formula: C160H306O16 MolecularWeight: 2486.13204

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Descriptors Computed from Structure

Canonical SMILES:

C(CCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC(=O)O)(CCCCCCCCCCCCCCCC(=O)O)CCCCCCCCCCCCCCCC(=O)O)CCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC(=O)O)(CCCCCCCCCCCCCCCC(=O)O)C(CCCCCCCCCCCCCCCC(=O)O)(CCCCCCCCCCCCCCCC(=O)O)CCCCCCCCCCCCCCCC(=O)O

Isomeric SMILES

C(CCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC(=O)O)(CCCCCCCCCCCCCCCC(=O)O)CCCCCCCCCCCCCCCC(=O)O)CCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC(=O)O)(CCCCCCCCCCCCCCCC(=O)O)C(CCCCCCCCCCCCCCCC(=O)O)(CCCCCCCCCCCCCCCC(=O)O)CCCCCCCCCCCCCCCC(=O)O

InChI

InChI=1S/C160H306O16/c161-150(162)132-114-96-78-60-42-24-16-33-51-69-87-105-123-141-158(142-124-106-88-70-52-34-17-25-43-61-79-97-115-133-151(163)164,143-125-107-89-71-53-35-18-26-44-62-80-98-116-134-152(165)166)140-122-104-86-68-50-32-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-36-54-72-90-108-126-144-159(145-127-109-91-73-55-37-19-27-45-63-81-99-117-135-153(167)168,146-128-110-92-74-56-38-20-28-46-64-82-100-118-136-154(169)170)160(147-129-111-93-75-57-39-21-29-47-65-83-101-119-137-155(171)172,148-130-112-94-76-58-40-22-30-48-66-84-102-120-138-156(173)174)149-131-113-95-77-59-41-23-31-49-67-85-103-121-139-157(175)176/h1-149H2,(H,161,162)(H,163,164)(H,165,166)(H,167,168)(H,169,170)(H,171,172)(H,173,174)(H,175,176)