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butanethial; 2-phenacylbenzaldehyde; 2-phenylethanal

butanethial; 2-phenacylbenzaldehyde; 2-phenylethanal

Systemtic Name:butanethial; 2-phenacylbenzaldehyde; 2-phenylethanal
Openeye Name:butanethial; 2-phenacylbenzaldehyde; 2-phenylacetaldehyde
CAS Name:butanethial; 2-phenacylbenzaldehyde; 2-phenylacetaldehyde
IUPAC Name:butanethial; 2-phenacylbenzaldehyde; 2-phenylacetaldehyde
Traditional Name:2-phenacylbenzaldehyde; 2-phenylacetaldehyde; thiobutyraldehyde
Formula: C27H28O3S
MolecularWeight: 432.57442
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Descriptors Computed from Structure

Canonical SMILES:

CCCC=S.C1=CC=C(C=C1)CC=O.C1=CC=C(C=C1)C(=O)CC2=CC=CC=C2C=O


Isomeric SMILES

CCCC=S.C1=CC=C(C=C1)CC=O.C1=CC=C(C=C1)C(=O)CC2=CC=CC=C2C=O


InChI

InChI=1S/C15H12O2.C8H8O.C4H8S/c16-11-14-9-5-4-8-13(14)10-15(17)12-6-2-1-3-7-12;9-7-6-8-4-2-1-3-5-8;1-2-3-4-5/h1-9,11H,10H2;1-5,7H,6H2;4H,2-3H2,1H3


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