1-(dioxidanyl)-2,3,4,5-tetra(nonyl)benzene; titanium

Systemtic Name: 1-(dioxidanyl)-2,3,4,5-tetra(nonyl)benzene; titanium Openeye Name: 1-hydroperoxy-2,3,4,5-tetra(nonyl)benzene; titanium CAS Name: 1-hydroperoxy-2,3,4,5-tetra(nonyl)benzene; titanium IUPAC Name: 1-hydroperoxy-2,3,4,5-tetra(nonyl)benzene; titanium Traditional Name: 1-hydroperoxy-2,3,4,5-tetra(nonyl)benzene; titanium Formula: C168H312O8Ti MolecularWeight: 2508.13708

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC(=C(C(=C1CCCCCCCCC)CCCCCCCCC)CCCCCCCCC)OO.CCCCCCCCCC1=CC(=C(C(=C1CCCCCCCCC)CCCCCCCCC)CCCCCCCCC)OO.CCCCCCCCCC1=CC(=C(C(=C1CCCCCCCCC)CCCCCCCCC)CCCCCCCCC)OO.CCCCCCCCCC1=CC(=C(C(=C1CCCCCCCCC)CCCCCCCCC)CCCCCCCCC)OO.[Ti]

Isomeric SMILES

CCCCCCCCCC1=CC(=C(C(=C1CCCCCCCCC)CCCCCCCCC)CCCCCCCCC)OO.CCCCCCCCCC1=CC(=C(C(=C1CCCCCCCCC)CCCCCCCCC)CCCCCCCCC)OO.CCCCCCCCCC1=CC(=C(C(=C1CCCCCCCCC)CCCCCCCCC)CCCCCCCCC)OO.CCCCCCCCCC1=CC(=C(C(=C1CCCCCCCCC)CCCCCCCCC)CCCCCCCCC)OO.[Ti]

InChI

InChI=1S/4C42H78O2.Ti/c4*1-5-9-13-17-21-25-29-33-38-37-42(44-43)41(36-32-28-24-20-16-12-8-4)40(35-31-27-23-19-15-11-7-3)39(38)34-30-26-22-18-14-10-6-2;/h4*37,43H,5-36H2,1-4H3;