hexakis(4-tridecylphenyl) benzene-1,2,3,4,5,6-hexacarboxylate

Systemtic Name: hexakis(4-tridecylphenyl) benzene-1,2,3,4,5,6-hexacarboxylate Openeye Name: hexakis(4-tridecylphenyl) benzene-1,2,3,4,5,6-hexacarboxylate CAS Name: benzene-1,2,3,4,5,6-hexacarboxylic acid hexakis(4-tridecylphenyl) ester IUPAC Name: hexakis(4-tridecylphenyl) benzene-1,2,3,4,5,6-hexacarboxylate Traditional Name: benzene-1,2,3,4,5,6-hexacarboxylic acid hexakis(4-tridecylphenyl) ester Formula: C126H186O12 MolecularWeight: 1892.81784

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC1=CC=C(C=C1)OC(=O)C2=C(C(=C(C(=C2C(=O)OC3=CC=C(C=C3)CCCCCCCCCCCCC)C(=O)OC4=CC=C(C=C4)CCCCCCCCCCCCC)C(=O)OC5=CC=C(C=C5)CCCCCCCCCCCCC)C(=O)OC6=CC=C(C=C6)CCCCCCCCCCCCC)C(=O)OC7=CC=C(C=C7)CCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCC1=CC=C(C=C1)OC(=O)C2=C(C(=C(C(=C2C(=O)OC3=CC=C(C=C3)CCCCCCCCCCCCC)C(=O)OC4=CC=C(C=C4)CCCCCCCCCCCCC)C(=O)OC5=CC=C(C=C5)CCCCCCCCCCCCC)C(=O)OC6=CC=C(C=C6)CCCCCCCCCCCCC)C(=O)OC7=CC=C(C=C7)CCCCCCCCCCCCC

InChI

InChI=1S/C126H186O12/c1-7-13-19-25-31-37-43-49-55-61-67-73-103-79-91-109(92-80-103)133-121(127)115-116(122(128)134-110-93-81-104(82-94-110)74-68-62-56-50-44-38-32-26-20-14-8-2)118(124(130)136-112-97-85-106(86-98-112)76-70-64-58-52-46-40-34-28-22-16-10-4)120(126(132)138-114-101-89-108(90-102-114)78-72-66-60-54-48-42-36-30-24-18-12-6)119(125(131)137-113-99-87-107(88-100-113)77-71-65-59-53-47-41-35-29-23-17-11-5)117(115)123(129)135-111-95-83-105(84-96-111)75-69-63-57-51-45-39-33-27-21-15-9-3/h79-102H,7-78H2,1-6H3