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3-(3-heptadecyl-1-sulfo-naphthalen-2-yl)oxypropanoic acid

3-(3-heptadecyl-1-sulfo-naphthalen-2-yl)oxypropanoic acid

Systemtic Name:3-(3-heptadecyl-1-sulfo-naphthalen-2-yl)oxypropanoic acid
Openeye Name:3-[(3-heptadecyl-1-sulfo-2-naphthyl)oxy]propanoic acid
CAS Name:3-[(3-heptadecyl-1-sulfo-2-naphthalenyl)oxy]propanoic acid
IUPAC Name:3-(3-heptadecyl-1-sulfonaphthalen-2-yl)oxypropanoic acid
Traditional Name:3-(3-heptadecyl-1-sulfo-2-naphthoxy)propionic acid
Formula: C30H46O6S
MolecularWeight: 534.74764
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1=CC2=CC=CC=C2C(=C1OCCC(=O)O)S(=O)(=O)O


Isomeric SMILES

CCCCCCCCCCCCCCCCCC1=CC2=CC=CC=C2C(=C1OCCC(=O)O)S(=O)(=O)O


InChI

InChI=1S/C30H46O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-26-24-25-19-17-18-21-27(25)30(37(33,34)35)29(26)36-23-22-28(31)32/h17-19,21,24H,2-16,20,22-23H2,1H3,(H,31,32)(H,33,34,35)


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