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1,6-diethoxybenzo[a]pyren-3-ol

1,6-diethoxybenzo[a]pyren-3-ol

Systemtic Name:1,6-diethoxybenzo[a]pyren-3-ol
Openeye Name:1,6-diethoxybenzo[a]pyren-3-ol
CAS Name:1,6-diethoxy-3-benzo[a]pyrenol
IUPAC Name:1,6-diethoxybenzo[a]pyren-3-ol
Traditional Name:1,6-diethoxybenzo[a]pyren-3-ol
Formula: C24H20O3
MolecularWeight: 356.4138
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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C=CC3=C4C2=C(C=CC4=C(C5=CC=CC=C35)OCC)C(=C1)O


Isomeric SMILES

CCOC1=C2C=CC3=C4C2=C(C=CC4=C(C5=CC=CC=C35)OCC)C(=C1)O


InChI

InChI=1S/C24H20O3/c1-3-26-21-13-20(25)17-10-12-19-22-15(9-11-18(21)23(17)22)14-7-5-6-8-16(14)24(19)27-4-2/h5-13,25H,3-4H2,1-2H3


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