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Home > Indoles and Oxindole > 176978-81-7
176978-81-7 | 1H-Benz[e]indole-6,8-disulfonic acid, 1,1,2-trimethyl-
CAS No: 176978-81-7 Catalog No: AG00251I MDL No:
Product Description
Catalog Number:
AG00251I
Chemical Name:
1H-Benz[e]indole-6,8-disulfonic acid, 1,1,2-trimethyl-
CAS Number:
176978-81-7
Molecular Formula:
C15H15NO6S2
Molecular Weight:
369.4127
IUPAC Name:
1,1,2-trimethylbenzo[e]indole-6,8-disulfonic acid
InChI:
InChI=1S/C15H15NO6S2/c1-8-15(2,3)14-11-6-9(23(17,18)19)7-13(24(20,21)22)10(11)4-5-12(14)16-8/h4-7H,1-3H3,(H,17,18,19)(H,20,21,22)
InChI Key:
FNEUQIFLYGCFMY-UHFFFAOYSA-N
SMILES:
CC1=Nc2c(C1(C)C)c1cc(cc(c1cc2)S(=O)(=O)O)S(=O)(=O)O
Properties
Complexity:
759
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
369.034g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
369.406g/mol
Monoisotopic Mass:
369.034g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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