methyl 2-[(2-methanoyl-3,4-dihydrophenanthren-1-yl)sulfanyl]ethanoate

Systemtic Name: methyl 2-[(2-methanoyl-3,4-dihydrophenanthren-1-yl)sulfanyl]ethanoate Openeye Name: methyl 2-[(2-formyl-3,4-dihydrophenanthren-1-yl)sulfanyl]acetate CAS Name: 2-[(2-formyl-3,4-dihydrophenanthren-1-yl)thio]acetic acid methyl ester IUPAC Name: methyl 2-[(2-formyl-3,4-dihydrophenanthren-1-yl)sulfanyl]acetate Traditional Name: 2-[(2-formyl-3,4-dihydrophenanthren-1-yl)thio]acetic acid methyl ester Formula: C18H16O3S MolecularWeight: 312.38284

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=C(CCC2=C1C=CC3=CC=CC=C23)C=O

Isomeric SMILES

COC(=O)CSC1=C(CCC2=C1C=CC3=CC=CC=C23)C=O

InChI

InChI=1S/C18H16O3S/c1-21-17(20)11-22-18-13(10-19)7-8-15-14-5-3-2-4-12(14)6-9-16(15)18/h2-6,9-10H,7-8,11H2,1H3