chromen-2-one; 5,6,11,12-tetraphenyltetracene

Systemtic Name: chromen-2-one; 5,6,11,12-tetraphenyltetracene Openeye Name: chromen-2-one; 5,6,11,12-tetraphenyltetracene CAS Name: 1-benzopyran-2-one; 5,6,11,12-tetraphenyltetracene IUPAC Name: chromen-2-one; 5,6,11,12-tetraphenyltetracene Traditional Name: coumarin; 5,6,11,12-tetraphenyltetracene Formula: C51H34O2 MolecularWeight: 678.81446

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC=CC3=C(C4=C(C5=CC=CC=C5C(=C24)C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8.C1=CC=C2C(=C1)C=CC(=O)O2

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC=CC3=C(C4=C(C5=CC=CC=C5C(=C24)C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8.C1=CC=C2C(=C1)C=CC(=O)O2

InChI

InChI=1S/C42H28.C9H6O2/c1-5-17-29(18-6-1)37-33-25-13-14-26-34(33)39(31-21-9-3-10-22-31)42-40(32-23-11-4-12-24-32)36-28-16-15-27-35(36)38(41(37)42)30-19-7-2-8-20-30;10-9-6-5-7-3-1-2-4-8(7)11-9/h1-28H;1-6H