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2-bromanyl-3,4,5-triheptyl-naphthalene-1-sulfonic acid

2-bromanyl-3,4,5-triheptyl-naphthalene-1-sulfonic acid

Systemtic Name:2-bromanyl-3,4,5-triheptyl-naphthalene-1-sulfonic acid
Openeye Name:2-bromo-3,4,5-triheptyl-naphthalene-1-sulfonic acid
CAS Name:2-bromo-3,4,5-triheptyl-1-naphthalenesulfonic acid
IUPAC Name:2-bromo-3,4,5-triheptylnaphthalene-1-sulfonic acid
Traditional Name:2-bromo-3,4,5-triheptyl-naphthalene-1-sulfonic acid
Formula: C31H49BrO3S
MolecularWeight: 581.68796
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=CC2=C1C(=C(C(=C2S(=O)(=O)O)Br)CCCCCCC)CCCCCCC


Isomeric SMILES

CCCCCCCC1=CC=CC2=C1C(=C(C(=C2S(=O)(=O)O)Br)CCCCCCC)CCCCCCC


InChI

InChI=1S/C31H49BrO3S/c1-4-7-10-13-16-20-25-21-19-24-28-29(25)26(22-17-14-11-8-5-2)27(23-18-15-12-9-6-3)30(32)31(28)36(33,34)35/h19,21,24H,4-18,20,22-23H2,1-3H3,(H,33,34,35)


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