Name: Name:2-Methoxy-5-{[(2E)-1-oxo-1,2,3,4-tetrahydronaphthalen-2-ylidene]methyl}benzene-1-sulfonic acid
Brand: Angene
SKU: AG01EZ94
Rating: 90 (10 reviews)

2-Methoxy-5-{[(2E)-1-oxo-1,2,3,4-tetrahydronaphthalen-2-ylidene]methyl}benzene-1-sulfonic acid

CAS No.:

91788-14-6

Catalog Number:

AG01EZ94

Molecular Formula:

C18H16O5S

Molecular Weight:

344.3816

Catalog Number:

AG01EZ94

Chemical Name:

2-Methoxy-5-{[(2E)-1-oxo-1,2,3,4-tetrahydronaphthalen-2-ylidene]methyl}benzene-1-sulfonic acid

CAS Number:

91788-14-6

Molecular Formula:

C18H16O5S

Molecular Weight:

344.3816

MDL Number:

MFCD01961136

IUPAC Name:

2-methoxy-5-[(E)-(1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]benzenesulfonic acid

InChI:

InChI=1S/C18H16O5S/c1-23-16-9-6-12(11-17(16)24(20,21)22)10-14-8-7-13-4-2-3-5-15(13)18(14)19/h2-6,9-11H,7-8H2,1H3,(H,20,21,22)/b14-10+

InChI Key:

LWGJGACMJWOCTR-GXDHUFHOSA-N

SMILES:

COc1ccc(cc1S(=O)(=O)O)/C=C/1\CCc2c(C1=O)cccc2

Complexity:

603

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

344.072g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

344.381g/mol

Monoisotopic Mass:

344.072g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

89A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8