4-(5-benzo[b]pyren-6-ylthiophen-2-yl)morpholine

Systemtic Name: 4-(5-benzo[b]pyren-6-ylthiophen-2-yl)morpholine Openeye Name: 4-(5-benzo[b]pyren-6-yl-2-thienyl)morpholine CAS Name: 4-[5-(6-benzo[b]pyrenyl)-2-thiophenyl]morpholine IUPAC Name: 4-(5-benzo[b]pyren-6-ylthiophen-2-yl)morpholine Traditional Name: 4-(5-benzo[b]pyren-6-yl-2-thienyl)morpholine Formula: C28H21NOS MolecularWeight: 419.53744

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC=C(S2)C3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C7=CC=CC=C73

Isomeric SMILES

C1COCCN1C2=CC=C(S2)C3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C7=CC=CC=C73

InChI

InChI=1S/C28H21NOS/c1-2-7-21-20(6-1)22-10-8-18-4-3-5-19-9-11-23(28(22)26(18)19)27(21)24-12-13-25(31-24)29-14-16-30-17-15-29/h1-13H,14-17H2