bis[4-(3,4,5-trihexadecoxyphenoxy)phenyl]methanone

Systemtic Name: bis[4-(3,4,5-trihexadecoxyphenoxy)phenyl]methanone Openeye Name: bis[4-(3,4,5-trihexadecoxyphenoxy)phenyl]methanone CAS Name: bis[4-(3,4,5-trihexadecoxyphenoxy)phenyl]methanone IUPAC Name: bis[4-(3,4,5-trihexadecoxyphenoxy)phenyl]methanone Traditional Name: bis[4-(3,4,5-tricetyloxyphenoxy)phenyl]methanone Formula: C121H210O9 MolecularWeight: 1808.9567

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC(=CC(=C1OCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCC)OC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)OC4=CC(=C(C(=C4)OCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC(=CC(=C1OCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCC)OC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)OC4=CC(=C(C(=C4)OCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCC

InChI

InChI=1S/C121H210O9/c1-7-13-19-25-31-37-43-49-55-61-67-73-79-85-99-123-115-105-113(106-116(124-100-86-80-74-68-62-56-50-44-38-32-26-20-14-8-2)120(115)127-103-89-83-77-71-65-59-53-47-41-35-29-23-17-11-5)129-111-95-91-109(92-96-111)119(122)110-93-97-112(98-94-110)130-114-107-117(125-101-87-81-75-69-63-57-51-45-39-33-27-21-15-9-3)121(128-104-90-84-78-72-66-60-54-48-42-36-30-24-18-12-6)118(108-114)126-102-88-82-76-70-64-58-52-46-40-34-28-22-16-10-4/h91-98,105-108H,7-90,99-104H2,1-6H3