2,2'-[(E)-1,2-Ethenediyl]bis(5-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}benzenesulfonic Acid)

HCID 9853953
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Basic information

Standard SMILES
O=C(Nc1ccc(/C=C/c2ccc(NC(=O)OCC3c4ccccc4-c4ccccc43)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1)OCC1c2ccccc2-c2ccccc21
InChIKey
BFCFGLVDKOQLNF-ISLYRVAYSA-N
Molecular formula
C44H34N2O10S2
Average molar mass
814.9 g/mol

Names & identifiers

Preferred name
2,2'-[(E)-1,2-Ethenediyl]bis(5-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}benzenesulfonic Acid)
IUPAC
5-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[(E)-2-[4-(9H-fluoren-9-ylmethoxycarbonylamino)-2-sulfophenyl]ethenyl]benzenesulfonic acid

Names & synonyms

SCHEMBL7658903BFCFGLVDKOQLNF-ISLYRVAYSA-N2,2'-[(E)-1,2-Ethenediyl]bis(5-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}benzenesulfonic Acid)2.2'-[(E)-1,2-Ethenediyl]bis(5-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}benzenesulfonic Acid)

Database identifiers

PubChem CID
9853953

Properties

Computed structural properties

XLogP
7.1
Topological polar surface area
202 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
10
Rotatable bonds
12
Heavy atoms
58

Related reactions

1 records
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Compound notes

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