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Reference substances

Currently viewing:
IUPAC name:
6'-[ethyl(3-methylbutyl)amino]-3'-methyl-2'-(phenylamino)-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one

Inventory

EC number:
274-641-1
EC name:
2'-anilino-6'-[ethyl(3-methylbutyl)amino]-3'-methylspiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one
CAS number:
70516-41-5
CAS number:
70516-41-5
Synonyms
Names:
Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 6'-[ethyl(3-methylbutyl)amino]-3'-methyl-2'-(phenylamino)-
Identifier:
IUPAC name
2'-anilino-6'-[ethyl(3-methylbutyl)amino]-3'-methyl-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one
Identifier:
other: Molecular formula
C34H34N2O3
Identifier:
other: SMILES notation
CCN(CCC(C)C)c1ccc2c(Oc3cc(C)c(Nc4ccccc4)cc3C25OC(=O)c6ccccc56)c1
Identifier:
other: SMILES notation
O=C1O[C@@]2(c3c(Oc4cc(N(CCC(C)C)CC)ccc24)cc(c(Nc2ccccc2)c3)C)c2ccccc12

Molecular and structural information

Molecular formula:
C34 H34 N2 O3
Molecular weight:
518.65
SMILES notation:
CC(C)CCN(CC)c6ccc5c(Oc2cc(C)c(Nc1ccccc1)cc2C54OC(=O)c3ccccc34)c6
InChl:
InChI=1/C34H34N2O3/c1-5-36(18-17-22(2)3)25-15-16-28-32(20-25)38-31-19-23(4)30(35-24-11-7-6-8-12-24)21-29(31)34(28)27-14-10-9-13-26(27)33(37)39-34/h6-16,19-22,35H,5,17-18H2,1-4H3
Structural formula:
Chemical structure

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