CC1(CC=C(C2=C1C=CC(=C2)C(=O)OC)SC3=CC=CC=C3)C
Nombre: methyl 5,5-dimethyl-8-phenylsulfanyl-6H-naphthalene-2-carboxylate
SMILES: CC1(CC=C(C2=C1C=CC(=C2)C(=O)OC)SC3=CC=CC=C3)C

Molecular Processing

Molecular formula
C20H20O2S
Molecular weight
324.44
Exact mass
324.1184
XLogP
5.29
TPSA
26.3
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
23
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
95.7

Supplementary Information

InChIKey: RVUDGJRVUGZJGZ-UHFFFAOYSA-N
Sinónimos
SCHEMBL6292700RVUDGJRVUGZJGZ-UHFFFAOYSA-Nmethyl 5,5-dimethyl-5,6-dihydro-8-(phenylthio) -naphthalene-2-carboxylatemethyl 5,5-dimethyl-5,6-dihydro-8-(phenylthio)-naphthalene-2-carboxylateMethyl-5,5-dimethyl-5,6-dihydro-8-(phenylthio) -naphthalene-2-carboxylateMethyl-5,5-dimethyl-5,6-dihydro-8-(phenylthio)-naphthalene -2-carboxylatemethyl-5,5-dimethyl-5,6-dihydro-8-(phenylthio)-naphthalene-2-carboxylateMethyl-5,5-dimethyl-5.6-dihydro-8-(phenylthio)-naphthalene-2-carboxylate
Ver fuente →
Participa en 35 reacciones→

Busqueda Extendida

Busqueda de Subestructura→Busqueda de Similitud→