1,1,4,4-tetra(phenanthren-9-yl)butane-1,2,3,4-tetrol

Systemtic Name: 1,1,4,4-tetra(phenanthren-9-yl)butane-1,2,3,4-tetrol Openeye Name: 1,1,4,4-tetrakis(9-phenanthryl)butane-1,2,3,4-tetrol CAS Name: 1,1,4,4-tetrakis(9-phenanthrenyl)butane-1,2,3,4-tetrol IUPAC Name: 1,1,4,4-tetra(phenanthren-9-yl)butane-1,2,3,4-tetrol Traditional Name: 1,1,4,4-tetrakis(9-phenanthryl)butane-1,2,3,4-tetrol Formula: C60H42O4 MolecularWeight: 826.97308

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C3=CC=CC=C23)C(C4=CC5=CC=CC=C5C6=CC=CC=C64)(C(C(C(C7=CC8=CC=CC=C8C9=CC=CC=C97)(C1=CC2=CC=CC=C2C2=CC=CC=C21)O)O)O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C3=CC=CC=C23)C(C4=CC5=CC=CC=C5C6=CC=CC=C64)(C(C(C(C7=CC8=CC=CC=C8C9=CC=CC=C97)(C1=CC2=CC=CC=C2C2=CC=CC=C21)O)O)O)O

InChI

InChI=1S/C60H42O4/c61-57(59(63,53-33-37-17-1-5-21-41(37)45-25-9-13-29-49(45)53)54-34-38-18-2-6-22-42(38)46-26-10-14-30-50(46)54)58(62)60(64,55-35-39-19-3-7-23-43(39)47-27-11-15-31-51(47)55)56-36-40-20-4-8-24-44(40)48-28-12-16-32-52(48)56/h1-36,57-58,61-64H